 Entering Gaussian System, Link 0=g16
 Input=28_pantolactone_Boat_STD_B3LYPDBJ-augccpVDZr.in
 Output=28_pantolactone_Boat_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/28_pantolactone_Boat_STD/Gau-17369.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/28_pantolactone_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     17371.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=28_pantolactone_Boat_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 18:28:07 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "28_pantolactone_Boat_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                 1.011671000000     -1.084086000000     -0.813691000000
  C                                                 1.419413000000     -0.188289000000      0.111620000000
  O                                                 2.553619000000     -0.095356000000      0.484544000000
  C                                                 0.235828000000      0.696000000000      0.519965000000
  C                                                -0.979961000000     -0.126503000000      0.081048000000
  C                                                -0.385884000000     -0.883675000000     -1.120205000000
  O                                                 0.318123000000      1.909739000000     -0.219607000000
  H                                                 0.252519000000      0.889728000000      1.595205000000
  C                                                -2.196472000000      0.704842000000     -0.305200000000
  C                                                -1.329021000000     -1.118373000000      1.197513000000
  H                                                -0.452245000000     -0.301310000000     -2.040275000000
  H                                                -0.831807000000     -1.864662000000     -1.274620000000
  H                                                 1.179565000000      2.308118000000     -0.044321000000
  H                                                -1.948274000000      1.441050000000     -1.067010000000
  H                                                -2.593106000000      1.235162000000      0.562058000000
  H                                                -2.987301000000      0.056387000000     -0.689334000000
  H                                                -0.472039000000     -1.735350000000      1.475951000000
  H                                                -2.129645000000     -1.785340000000      0.874079000000
  H                                                -1.668393000000     -0.590170000000      2.089853000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12          16          12          12          12          16           1          12          12
 AtmWgt=  15.9949146  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000  15.9949146   1.0078250  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           1           0           0
 AtZEff=   5.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000   5.6000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   0.0000000
 AtZNuc=   8.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000   8.0000000   1.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 18:28:08 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        1.011671   -1.084086   -0.813691
      2          6           0        1.419413   -0.188289    0.111620
      3          8           0        2.553619   -0.095356    0.484544
      4          6           0        0.235828    0.696000    0.519965
      5          6           0       -0.979961   -0.126503    0.081048
      6          6           0       -0.385884   -0.883675   -1.120205
      7          8           0        0.318123    1.909739   -0.219607
      8          1           0        0.252519    0.889728    1.595205
      9          6           0       -2.196472    0.704842   -0.305200
     10          6           0       -1.329021   -1.118373    1.197513
     11          1           0       -0.452245   -0.301310   -2.040275
     12          1           0       -0.831807   -1.864662   -1.274620
     13          1           0        1.179565    2.308118   -0.044321
     14          1           0       -1.948274    1.441050   -1.067010
     15          1           0       -2.593106    1.235162    0.562058
     16          1           0       -2.987301    0.056387   -0.689334
     17          1           0       -0.472039   -1.735350    1.475951
     18          1           0       -2.129645   -1.785340    0.874079
     19          1           0       -1.668393   -0.590170    2.089853
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.350891   0.000000
     3  O    2.245129   1.197553   0.000000
     4  C    2.355690   1.532836   2.449419   0.000000
     5  C    2.384139   2.400364   3.556679   1.532091   0.000000
     6  C    1.444741   2.293480   3.440544   2.360520   1.539235
     7  O    3.130005   2.392545   3.084425   1.423693   2.433454
     8  H    3.205469   2.173657   2.738434   1.092680   2.201001
     9  C    3.708235   3.747806   4.881329   2.568474   1.523227
    10  C    3.086253   3.098082   4.077963   2.489934   1.533670
    11  H    2.064049   2.854213   3.930947   2.832473   2.192955
    12  H    2.054304   3.130476   4.205498   3.304144   2.209294
    13  H    3.482408   2.512746   2.818583   1.951405   3.256785
    14  H    3.898943   3.922401   5.003489   2.800695   2.170919
    15  H    4.501779   4.281287   5.316490   2.880162   2.165119
    16  H    4.160279   4.485590   5.665934   3.501438   2.157858
    17  H    2.804996   2.798640   3.581491   2.706741   2.189093
    18  H    3.634307   3.965820   4.994071   3.446434   2.168504
    19  H    3.982118   3.689100   4.543924   2.782955   2.173528
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.018255   0.000000
     8  H    3.305445   2.082851   0.000000
     9  C    2.542803   2.789676   3.105363   0.000000
    10  C    2.513246   3.727033   2.586870   2.516889   0.000000
    11  H    1.090909   2.965980   3.889984   2.658036   3.452477
    12  H    1.088589   4.084299   4.122902   3.066665   2.629755
    13  H    3.714256   0.965149   2.357815   3.746489   4.424477
    14  H    2.801471   2.464613   3.497833   1.088099   3.473066
    15  H    3.491605   3.088901   3.047015   1.091189   2.746059
    16  H    2.799417   3.818558   4.050927   1.092457   2.773111
    17  H    2.733642   4.097066   2.725847   3.478607   1.092065
    18  H    2.798369   4.565230   3.653863   2.756115   1.091079
    19  H    3.469214   3.940736   2.474809   2.773482   1.091074
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.781675   0.000000
    13  H    3.668208   4.792843   0.000000
    14  H    2.494227   3.495330   3.403098   0.000000
    15  H    3.703535   4.010545   3.968876   1.764103   0.000000
    16  H    2.894736   2.946039   4.780074   1.771866   1.763769
    17  H    3.797461   2.777012   4.624787   4.328445   3.762721
    18  H    3.675524   2.511490   5.343288   3.769657   3.071740
    19  H    4.315138   3.693763   4.589732   3.764302   2.553642
                   16         17         18         19
    16  H    0.000000
    17  H    3.771647   0.000000
    18  H    2.563551   1.764201   0.000000
    19  H    3.143475   1.766232   1.766152   0.000000
 Stoichiometry    C6H10O3
 Framework group  C1[X(C6H10O3)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.14D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        1.011671   -1.084086   -0.813691
      2          6           0        1.419413   -0.188289    0.111620
      3          8           0        2.553619   -0.095356    0.484544
      4          6           0        0.235828    0.696000    0.519965
      5          6           0       -0.979961   -0.126503    0.081048
      6          6           0       -0.385884   -0.883675   -1.120205
      7          8           0        0.318123    1.909739   -0.219607
      8          1           0        0.252519    0.889728    1.595205
      9          6           0       -2.196472    0.704842   -0.305200
     10          6           0       -1.329021   -1.118373    1.197513
     11          1           0       -0.452245   -0.301310   -2.040275
     12          1           0       -0.831807   -1.864662   -1.274620
     13          1           0        1.179565    2.308118   -0.044321
     14          1           0       -1.948274    1.441050   -1.067010
     15          1           0       -2.593106    1.235162    0.562058
     16          1           0       -2.987301    0.056387   -0.689334
     17          1           0       -0.472039   -1.735350    1.475951
     18          1           0       -2.129645   -1.785340    0.874079
     19          1           0       -1.668393   -0.590170    2.089853
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4824118           1.4960408           1.2565744
 Leave Link  202 at Thu Jul  8 18:28:08 2021, MaxMem= 10737418240 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     11     12     13     14     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      4      5      6      9     10
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      3      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    35 alpha electrons       35 beta electrons
       nuclear repulsion energy       497.0319268020 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0310723187 Hartrees.
 Nuclear repulsion after empirical dispersion term =      497.0008544833 Hartrees.
 Leave Link  301 at Thu Jul  8 18:28:11 2021, MaxMem= 10737418240 cpu:              34.1 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  7.07D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Jul  8 18:28:11 2021, MaxMem= 10737418240 cpu:               7.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 18:28:12 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "28_pantolactone_Boat_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 18:28:13 2021, MaxMem= 10737418240 cpu:               7.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737211671 LenY= 10737112005
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -460.424763653715    
 DIIS: error= 1.74D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -460.424763653715     IErMin= 1 ErrMin= 1.74D-03
 ErrMax= 1.74D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.16D-03 BMatP= 5.16D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.74D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.256 Goal=   None    Shift=    0.000
 GapD=    0.256 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.35D-02 MaxDP=1.11D+00              OVMax= 1.82D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.31D-02    CP:  1.13D+00
 E= -460.429451722930     Delta-E=       -0.004688069214 Rises=F Damp=F
 DIIS: error= 6.22D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -460.429451722930     IErMin= 2 ErrMin= 6.22D-04
 ErrMax= 6.22D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.82D-04 BMatP= 5.16D-03
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.22D-03
 Coeff-Com:  0.299D-01 0.970D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.297D-01 0.970D+00
 Gap=     0.252 Goal=   None    Shift=    0.000
 RMSDP=4.67D-04 MaxDP=3.01D-02 DE=-4.69D-03 OVMax= 5.55D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.42D-04    CP:  1.13D+00  1.02D+00
 E= -460.429249406351     Delta-E=        0.000202316579 Rises=F Damp=F
 DIIS: error= 9.53D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -460.429451722930     IErMin= 2 ErrMin= 6.22D-04
 ErrMax= 9.53D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.68D-04 BMatP= 1.82D-04
 IDIUse=3 WtCom= 2.45D-01 WtEn= 7.55D-01
 Coeff-Com: -0.121D-01 0.624D+00 0.388D+00
 Coeff-En:   0.000D+00 0.685D+00 0.315D+00
 Coeff:     -0.296D-02 0.670D+00 0.332D+00
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=1.04D-04 MaxDP=5.17D-03 DE= 2.02D-04 OVMax= 3.36D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.73D-05    CP:  1.13D+00  1.03D+00  8.89D-01
 E= -460.429582651440     Delta-E=       -0.000333245089 Rises=F Damp=F
 DIIS: error= 8.29D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -460.429582651440     IErMin= 4 ErrMin= 8.29D-05
 ErrMax= 8.29D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.92D-06 BMatP= 1.82D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.592D-02 0.259D+00 0.923D-01 0.654D+00
 Coeff:     -0.592D-02 0.259D+00 0.923D-01 0.654D+00
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=2.42D-05 MaxDP=1.13D-03 DE=-3.33D-04 OVMax= 6.78D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.80D-05    CP:  1.13D+00  1.03D+00  9.00D-01  1.13D+00
 E= -460.429586867104     Delta-E=       -0.000004215664 Rises=F Damp=F
 DIIS: error= 3.97D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -460.429586867104     IErMin= 5 ErrMin= 3.97D-05
 ErrMax= 3.97D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-06 BMatP= 6.92D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.168D-02 0.492D-01-0.145D-01 0.458D+00 0.509D+00
 Coeff:     -0.168D-02 0.492D-01-0.145D-01 0.458D+00 0.509D+00
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=9.01D-06 MaxDP=4.21D-04 DE=-4.22D-06 OVMax= 4.14D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.45D-06    CP:  1.13D+00  1.03D+00  9.12D-01  1.16D+00  8.51D-01
 E= -460.429587800266     Delta-E=       -0.000000933162 Rises=F Damp=F
 DIIS: error= 1.31D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -460.429587800266     IErMin= 6 ErrMin= 1.31D-05
 ErrMax= 1.31D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-07 BMatP= 1.35D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.457D-03 0.334D-02-0.182D-01 0.216D+00 0.312D+00 0.487D+00
 Coeff:     -0.457D-03 0.334D-02-0.182D-01 0.216D+00 0.312D+00 0.487D+00
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=3.16D-06 MaxDP=1.20D-04 DE=-9.33D-07 OVMax= 1.12D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.62D-06    CP:  1.13D+00  1.03D+00  9.16D-01  1.17D+00  8.09D-01
                    CP:  9.70D-01
 E= -460.429587896255     Delta-E=       -0.000000095989 Rises=F Damp=F
 DIIS: error= 1.15D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -460.429587896255     IErMin= 7 ErrMin= 1.15D-06
 ErrMax= 1.15D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.87D-09 BMatP= 1.17D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.134D-04-0.325D-02-0.588D-02 0.453D-01 0.740D-01 0.191D+00
 Coeff-Com:  0.699D+00
 Coeff:     -0.134D-04-0.325D-02-0.588D-02 0.453D-01 0.740D-01 0.191D+00
 Coeff:      0.699D+00
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=8.86D-07 MaxDP=6.79D-05 DE=-9.60D-08 OVMax= 1.32D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.99D-07    CP:  1.13D+00  1.03D+00  9.17D-01  1.17D+00  8.25D-01
                    CP:  9.87D-01  9.04D-01
 E= -460.429587898625     Delta-E=       -0.000000002370 Rises=F Damp=F
 DIIS: error= 4.92D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -460.429587898625     IErMin= 8 ErrMin= 4.92D-07
 ErrMax= 4.92D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.19D-10 BMatP= 2.87D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.708D-05-0.154D-02-0.186D-02 0.120D-01 0.196D-01 0.681D-01
 Coeff-Com:  0.343D+00 0.560D+00
 Coeff:      0.708D-05-0.154D-02-0.186D-02 0.120D-01 0.196D-01 0.681D-01
 Coeff:      0.343D+00 0.560D+00
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=1.84D-07 MaxDP=1.14D-05 DE=-2.37D-09 OVMax= 4.11D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.51D-07    CP:  1.13D+00  1.03D+00  9.17D-01  1.17D+00  8.25D-01
                    CP:  9.89D-01  8.99D-01  9.44D-01
 E= -460.429587898826     Delta-E=       -0.000000000201 Rises=F Damp=F
 DIIS: error= 2.40D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -460.429587898826     IErMin= 9 ErrMin= 2.40D-07
 ErrMax= 2.40D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.68D-11 BMatP= 3.19D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.877D-05-0.392D-03-0.121D-03-0.420D-03-0.118D-02 0.751D-02
 Coeff-Com:  0.816D-01 0.322D+00 0.591D+00
 Coeff:      0.877D-05-0.392D-03-0.121D-03-0.420D-03-0.118D-02 0.751D-02
 Coeff:      0.816D-01 0.322D+00 0.591D+00
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=6.70D-08 MaxDP=3.93D-06 DE=-2.01D-10 OVMax= 1.53D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.64D-08    CP:  1.13D+00  1.03D+00  9.17D-01  1.17D+00  8.25D-01
                    CP:  9.93D-01  9.08D-01  9.48D-01  9.18D-01
 E= -460.429587898895     Delta-E=       -0.000000000070 Rises=F Damp=F
 DIIS: error= 3.00D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -460.429587898895     IErMin=10 ErrMin= 3.00D-08
 ErrMax= 3.00D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-12 BMatP= 5.68D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.330D-05-0.938D-04 0.442D-04-0.794D-03-0.145D-02-0.248D-04
 Coeff-Com:  0.179D-01 0.107D+00 0.239D+00 0.639D+00
 Coeff:      0.330D-05-0.938D-04 0.442D-04-0.794D-03-0.145D-02-0.248D-04
 Coeff:      0.179D-01 0.107D+00 0.239D+00 0.639D+00
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=1.55D-08 MaxDP=7.77D-07 DE=-6.97D-11 OVMax= 2.44D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.22D-08    CP:  1.13D+00  1.03D+00  9.17D-01  1.17D+00  8.25D-01
                    CP:  9.94D-01  9.09D-01  9.61D-01  9.10D-01  9.31D-01
 E= -460.429587898890     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 9.48D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -460.429587898895     IErMin=11 ErrMin= 9.48D-09
 ErrMax= 9.48D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-13 BMatP= 1.39D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.539D-06-0.215D-05 0.323D-04-0.306D-03-0.500D-03-0.632D-03
 Coeff-Com:  0.450D-03 0.177D-01 0.503D-01 0.284D+00 0.649D+00
 Coeff:      0.539D-06-0.215D-05 0.323D-04-0.306D-03-0.500D-03-0.632D-03
 Coeff:      0.450D-03 0.177D-01 0.503D-01 0.284D+00 0.649D+00
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=5.16D-09 MaxDP=2.96D-07 DE= 4.89D-12 OVMax= 7.42D-08

 SCF Done:  E(RB3LYP) =  -460.429587899     A.U. after   11 cycles
            NFock= 11  Conv=0.52D-08     -V/T= 2.0059
 KE= 4.577301616141D+02 PE=-2.069772477763D+03 EE= 6.546118737664D+02
 Leave Link  502 at Thu Jul  8 18:29:25 2021, MaxMem= 10737418240 cpu:            1152.5 elap:              72.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    35 NBE=    35 NFC=     0 NFV=     0
 NROrb=    297 NOA=    35 NOB=    35 NVA=   262 NVB=   262

 **** Warning!!: The largest alpha MO coefficient is  0.90857265D+02

 Leave Link  801 at Thu Jul  8 18:29:26 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5887 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.53D-13 8.33D-09 XBig12= 1.00D+00 2.74D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.53D-13 8.33D-09 XBig12= 2.58D-01 8.39D-02.
     11 vectors produced by pass  2 Test12= 1.53D-13 8.33D-09 XBig12= 4.20D-02 2.86D-02.
     11 vectors produced by pass  3 Test12= 1.53D-13 8.33D-09 XBig12= 2.64D-03 6.73D-03.
     11 vectors produced by pass  4 Test12= 1.53D-13 8.33D-09 XBig12= 1.06D-04 1.59D-03.
     11 vectors produced by pass  5 Test12= 1.53D-13 8.33D-09 XBig12= 3.09D-06 2.35D-04.
     11 vectors produced by pass  6 Test12= 1.53D-13 8.33D-09 XBig12= 5.17D-08 3.07D-05.
     11 vectors produced by pass  7 Test12= 1.53D-13 8.33D-09 XBig12= 6.10D-10 4.72D-06.
      9 vectors produced by pass  8 Test12= 1.53D-13 8.33D-09 XBig12= 6.17D-12 3.81D-07.
      7 vectors produced by pass  9 Test12= 1.53D-13 8.33D-09 XBig12= 6.06D-14 2.60D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.49D-14
 Solved reduced A of dimension   104 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.942655D+02
      2  0.213513D+01  0.800375D+02
      3  0.431355D+01  0.119419D+01  0.770759D+02
 Isotropic polarizability for W=    0.085645       83.79 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.345347D+02  0.414301D+01  0.155609D+02
      2   0.207019D+02  0.172392D+01 -0.258207D+02
      3   0.138328D+02 -0.586693D+01  0.102598D+02
      4  -0.878360D+01 -0.614659D+02  0.779955D+01
      5   0.272148D+02  0.970119D+01 -0.684310D+02
      6  -0.302023D+01 -0.455025D-02 -0.151702D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.390322D+01  0.103444D+02  0.477241D+01
      2   0.447734D+01  0.760477D+01 -0.273270D+02
      3  -0.108329D+02  0.291729D+02 -0.898732D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.190164D+01  0.258161D+02  0.930323D+01
      2  -0.116539D+02  0.108198D+02 -0.822638D+02
      3  -0.129266D+02  0.821678D+02 -0.127214D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.215864D+00 -0.193514D+01  0.106219D+01
      2  -0.193514D+01  0.162895D+00 -0.473458D+00
      3   0.106219D+01 -0.473458D+00  0.257364D+01
 OR G Eigenvalues:    -2.0219     1.1564     3.3861  Iso=    -0.8402
 Eigenvectors:
   (1)   0.755703   0.645927  -0.108123
   (2)  -0.479918   0.658516   0.579686
   (3)   0.445635  -0.386180   0.807635
 w=    0.085645 a.u., Optical Rotation Beta=     -0.8402 au.
 Molar Mass =    130.1432 grams/mole, [Alpha] ( 5320.0 A) =     -306.20 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 7.93D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.34D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.55D-14 2.78D-09 XBig12= 1.00D+00 3.40D-01.
     30 vectors produced by pass  1 Test12= 2.55D-14 2.78D-09 XBig12= 2.88D-02 3.62D-02.
     30 vectors produced by pass  2 Test12= 2.55D-14 2.78D-09 XBig12= 9.89D-04 5.10D-03.
     30 vectors produced by pass  3 Test12= 2.55D-14 2.78D-09 XBig12= 1.05D-05 3.81D-04.
     30 vectors produced by pass  4 Test12= 2.55D-14 2.78D-09 XBig12= 5.27D-08 3.17D-05.
     30 vectors produced by pass  5 Test12= 2.55D-14 2.78D-09 XBig12= 2.17D-10 1.25D-06.
     30 vectors produced by pass  6 Test12= 2.55D-14 2.78D-09 XBig12= 4.28D-13 6.59D-08.
      1 vectors produced by pass  7 Test12= 2.55D-14 2.78D-09 XBig12= 9.31D-16 2.91D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   211 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 4.05D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 4.05D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.94D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.942655D+02  0.213513D+01  0.431355D+01
      2   0.213513D+01  0.800375D+02  0.119419D+01
      3   0.431355D+01  0.119419D+01  0.770759D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.390322D+01  0.103444D+02  0.477241D+01
      2   0.447734D+01  0.760477D+01 -0.273270D+02
      3  -0.108329D+02  0.291729D+02 -0.898732D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.345347D+02  0.414301D+01  0.155609D+02
      2   0.207019D+02  0.172392D+01 -0.258207D+02
      3   0.138328D+02 -0.586693D+01  0.102598D+02
      4  -0.878360D+01 -0.614659D+02  0.779955D+01
      5   0.272148D+02  0.970119D+01 -0.684310D+02
      6  -0.302023D+01 -0.455025D-02 -0.151702D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.402834D+01 -0.200431D+01 -0.113617D+01 -0.113138D+01  0.531534D+00
      2  -0.200431D+01  0.230317D+00  0.588044D+00  0.531534D+00 -0.393307D+01
      3  -0.113617D+01  0.588044D+00 -0.550276D+00  0.427214D-01 -0.126172D+01
                 6             7             8             9            10 
      1   0.427214D-01 -0.479157D+00 -0.414558D+00  0.279710D+00 -0.750964D+01
      2  -0.126172D+01 -0.414558D+00 -0.182103D+01 -0.151746D+01 -0.163326D+01
      3  -0.829222D+00  0.279710D+00 -0.151746D+01 -0.296708D+01 -0.366875D+01
                11            12            13            14            15 
      1  -0.163326D+01 -0.366875D+01 -0.155967D+01  0.724420D+00  0.105234D+01
      2  -0.117222D+01  0.851314D+00  0.724420D+00  0.186344D+00  0.415685D+00
      3   0.851314D+00 -0.207169D+00  0.105234D+01  0.415685D+00  0.597331D+00
                16            17            18            19            20 
      1  -0.243020D+01  0.101472D+01  0.203037D+00  0.176780D+02  0.506746D+00
      2   0.101472D+01  0.522131D+00  0.909732D+00  0.506746D+00  0.329767D+01
      3   0.203037D+00  0.909732D+00  0.163062D+01  0.417785D+01  0.191648D+00
                21            22            23            24            25 
      1   0.417785D+01  0.129894D+00  0.320907D+01 -0.410458D+00  0.294764D+01
      2   0.191648D+00  0.320907D+01  0.971670D+00  0.949385D+00 -0.185398D+00
      3   0.289041D+01 -0.410458D+00  0.949385D+00  0.451014D-01  0.413664D+01
                26            27            28            29            30 
      1  -0.185398D+00  0.413664D+01  0.139437D+01  0.350655D+01  0.141939D+01
      2   0.870331D+00  0.503912D-02  0.350655D+01 -0.198652D+00 -0.210101D+00
      3   0.503912D-02  0.280284D+01  0.141939D+01 -0.210101D+00  0.345379D+00
                31            32            33            34            35 
      1   0.268038D+01 -0.367364D+00  0.311237D+00  0.164582D+01 -0.275242D+00
      2  -0.367364D+00 -0.228966D+01  0.145975D+01 -0.275242D+00  0.274585D+01
      3   0.311237D+00  0.145975D+01 -0.549799D+00 -0.261597D-01 -0.214649D+01
                36            37            38            39            40 
      1  -0.261597D-01 -0.165246D+01 -0.365671D+01  0.116100D+01 -0.326975D+01
      2  -0.214649D+01 -0.365671D+01 -0.722057D+00 -0.291748D+01 -0.256402D+00
      3  -0.675791D+01  0.116100D+01 -0.291748D+01 -0.153926D+01 -0.277527D+01
                41            42            43            44            45 
      1  -0.256402D+00 -0.277527D+01  0.118044D+01 -0.313344D+01 -0.107210D+01
      2   0.253970D+00 -0.966822D+00 -0.313344D+01 -0.214694D+01  0.419287D+01
      3  -0.966822D+00  0.520211D+01 -0.107210D+01  0.419287D+01  0.770872D+00
                46            47            48            49            50 
      1  -0.199907D+01  0.145075D+01 -0.944286D+00  0.368176D+00  0.244903D+01
      2   0.145075D+01  0.270572D+01  0.808283D+00  0.244903D+01  0.288865D+01
      3  -0.944286D+00  0.808283D+00  0.291790D+01  0.107220D+01  0.179648D+01
                51            52            53            54            55 
      1   0.107220D+01 -0.138819D+01  0.123725D+01  0.168422D+01 -0.445179D+01
      2   0.179648D+01  0.123725D+01  0.590751D+00 -0.330596D+01 -0.230122D+01
      3  -0.495424D+01  0.168422D+01 -0.330596D+01  0.267643D+01 -0.990485D+00
                56            57            58            59            60 
      1  -0.230122D+01 -0.990485D+00 -0.101380D+01 -0.121821D+01 -0.221670D+00
      2  -0.348581D+01 -0.559821D-01 -0.121821D+01  0.421704D+01 -0.149245D+01
      3  -0.559821D-01 -0.873101D+00 -0.221670D+00 -0.149245D+01 -0.314990D+00
                61            62            63            64            65 
      1  -0.188814D+01 -0.374770D+00 -0.652504D-01 -0.188510D+00 -0.758670D-01
      2  -0.374770D+00 -0.327451D+01  0.181636D+01 -0.758670D-01 -0.370219D-02
      3  -0.652504D-01  0.181636D+01 -0.732330D+00  0.115162D+01  0.530415D-01
                66            67            68            69            70 
      1   0.115162D+01  0.245813D-01  0.120988D+00  0.472628D-01  0.127594D+01
      2   0.530415D-01  0.120988D+00  0.131632D+01  0.112656D+01  0.410582D+00
      3   0.308943D-01  0.472628D-01  0.112656D+01  0.103493D+01  0.184470D+00
                71            72            73            74            75 
      1   0.410582D+00  0.184470D+00  0.173442D+01  0.344305D+01 -0.116188D+00
      2   0.178249D+01  0.135211D+01  0.344305D+01  0.150549D-01  0.355493D+01
      3   0.135211D+01  0.869686D+01 -0.116188D+00  0.355493D+01  0.108745D+01
                76            77            78            79            80 
      1   0.422950D+01  0.978096D+00  0.354316D+01 -0.740144D-01  0.335888D+01
      2   0.978096D+00 -0.150734D+01  0.136851D+01  0.335888D+01  0.119514D+01
      3   0.354316D+01  0.136851D+01 -0.375938D+01  0.212007D+01 -0.405916D+01
                81            82            83            84            85 
      1   0.212007D+01  0.477181D+00  0.465801D+01 -0.991009D+00  0.422013D+01
      2  -0.405916D+01  0.465801D+01  0.922186D-01  0.321996D+01  0.440243D+00
      3  -0.124700D+00 -0.991009D+00  0.321996D+01  0.373722D+00  0.328786D+01
                86            87            88            89            90 
      1   0.440243D+00  0.328786D+01 -0.343832D+00  0.355616D+01  0.100716D+01
      2   0.151187D+01  0.333443D+00  0.355616D+01  0.169177D+01 -0.333129D+01
      3   0.333443D+00 -0.452509D+01  0.100716D+01 -0.333129D+01 -0.235027D+01
                91            92            93            94            95 
      1  -0.582333D-01  0.407369D+00 -0.118603D+01  0.119805D+01 -0.759745D+00
      2   0.407369D+00 -0.296657D+00  0.779464D-01 -0.759745D+00  0.887909D+00
      3  -0.118603D+01  0.779464D-01 -0.799225D+00  0.192399D+00 -0.187550D+01
                96            97            98            99           100 
      1   0.192399D+00 -0.168070D+01  0.948572D-01 -0.105094D+01 -0.195164D+01
      2  -0.187550D+01  0.948572D-01 -0.128800D+01  0.158463D+01 -0.210313D+01
      3   0.379915D+01 -0.105094D+01  0.158463D+01 -0.842784D+01 -0.662627D+00
               101           102           103           104           105 
      1  -0.210313D+01 -0.662627D+00 -0.226002D+01 -0.237533D+01 -0.853338D+00
      2  -0.253271D+01 -0.103738D+01 -0.237533D+01 -0.713514D+01 -0.249165D+01
      3  -0.103738D+01 -0.117342D+01 -0.853338D+00 -0.249165D+01 -0.165707D+01
               106           107           108           109           110 
      1  -0.196254D+00 -0.455001D+00 -0.934134D+00  0.502359D+01  0.370256D+01
      2  -0.455001D+00 -0.104841D+01 -0.104986D+01  0.370256D+01  0.496898D+01
      3  -0.934134D+00 -0.104986D+01 -0.171084D+01 -0.505274D-01 -0.199640D+00
               111           112           113           114           115 
      1  -0.505274D-01  0.273933D+01  0.238106D+01 -0.223107D-01  0.552972D+00
      2  -0.199640D+00  0.238106D+01  0.414240D+01 -0.636763D-01  0.442017D+00
      3   0.979787D+00 -0.223107D-01 -0.636763D-01  0.623256D+00  0.604979D+00
               116           117           118           119           120 
      1   0.442017D+00  0.604979D+00  0.582064D+00  0.247146D+00 -0.498316D+00
      2   0.683225D+00  0.794047D+00  0.247146D+00  0.547753D+00 -0.611465D+00
      3   0.794047D+00 -0.964112D-01 -0.498316D+00 -0.611465D+00  0.547247D+00
               121           122           123           124           125 
      1   0.958733D+00 -0.550894D+00 -0.333123D-01 -0.134477D+01  0.131829D+00
      2  -0.550894D+00  0.420361D+01 -0.251480D+01  0.131829D+00 -0.290750D+01
      3  -0.333123D-01 -0.251480D+01  0.281111D+01 -0.590087D+00  0.291633D+01
               126           127           128           129           130 
      1  -0.590087D+00 -0.304173D+01  0.121345D+01  0.138705D+01  0.145487D+01
      2   0.291633D+01  0.121345D+01 -0.125504D+01 -0.103885D+01 -0.180345D+01
      3  -0.384637D+01  0.138705D+01 -0.103885D+01 -0.138030D+01 -0.128459D+01
               131           132           133           134           135 
      1  -0.180345D+01 -0.128459D+01  0.315277D+01 -0.196740D+01 -0.220796D+01
      2   0.285755D+01  0.134852D+01 -0.196740D+01  0.230638D+01  0.214332D+01
      3   0.134852D+01  0.189352D+01 -0.220796D+01  0.214332D+01  0.373491D+01
               136           137           138           139           140 
      1  -0.712025D+01 -0.179103D+01 -0.186566D+01 -0.433621D+01 -0.185449D+01
      2  -0.179103D+01 -0.152593D+01 -0.822146D+00 -0.185449D+01 -0.185863D+01
      3  -0.186566D+01 -0.822146D+00 -0.157113D+01 -0.145331D+01 -0.828728D+00
               141           142           143           144           145 
      1  -0.145331D+01 -0.237066D+01 -0.849942D+00 -0.193891D+01  0.346532D+01
      2  -0.828728D+00 -0.849942D+00 -0.780535D+00 -0.208529D+00 -0.221940D+01
      3  -0.883506D+00 -0.193891D+01 -0.208529D+00 -0.144300D+01  0.104324D+01
               146           147           148           149           150 
      1  -0.221940D+01  0.104324D+01 -0.215247D+01  0.160203D+01 -0.967628D+00
      2   0.287464D+01 -0.173866D+01  0.160203D+01 -0.373590D+01  0.151256D+01
      3  -0.173866D+01  0.192469D+01 -0.967628D+00  0.151256D+01 -0.102456D+01
               151           152           153           154           155 
      1   0.873852D+00 -0.885273D+00  0.808510D+00 -0.487425D+01 -0.332839D+01
      2  -0.885273D+00  0.101312D+01 -0.893385D+00 -0.332839D+01 -0.302410D+01
      3   0.808510D+00 -0.893385D+00  0.172686D+01  0.966928D-01 -0.164649D+00
               156           157           158           159           160 
      1   0.966928D-01 -0.311277D+01 -0.272821D+01 -0.274358D+00 -0.132425D+01
      2  -0.164649D+00 -0.272821D+01 -0.417712D+01  0.608433D-01 -0.113356D+01
      3  -0.118949D+01 -0.274358D+00  0.608433D-01 -0.554888D+00 -0.779535D+00
               161           162           163           164           165 
      1  -0.113356D+01 -0.779535D+00 -0.153570D+01 -0.223187D-01  0.167320D+01
      2  -0.142757D+01 -0.316799D+00 -0.223187D-01 -0.515474D+00 -0.548817D+00
      3  -0.316799D+00 -0.392745D+00  0.167320D+01 -0.548817D+00 -0.181412D+01
               166           167           168           169           170 
      1   0.832433D+00 -0.522374D+00 -0.125294D+01  0.189072D+01 -0.571713D+00
      2  -0.522374D+00  0.119955D+01  0.112361D+01 -0.571713D+00  0.129331D+01
      3  -0.125294D+01  0.112361D+01  0.304623D+01 -0.236372D+01  0.111449D+01
               171 
      1  -0.236372D+01
      2   0.111449D+01
      3   0.681009D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.495677D+00 -0.429096D+00  0.757107D+00 -0.485678D+01  0.331245D+01
      2   0.728944D+01 -0.155528D+01  0.691437D+01 -0.497291D+01  0.118775D+00
      3  -0.688385D+01 -0.438941D+01  0.106855D+01  0.805791D+01  0.354146D+01
                 6             7             8             9            10 
      1  -0.391796D+01  0.268260D+01  0.165708D+00 -0.406542D+01 -0.271006D+01
      2  -0.596844D+00 -0.557112D+01 -0.378680D+01 -0.271656D+01 -0.491190D-01
      3   0.269583D+01  0.400799D+01 -0.119860D+01  0.161845D+01  0.546623D+01
                11            12            13            14            15 
      1  -0.322308D+01 -0.842433D+00  0.196824D+01 -0.109337D+02 -0.274887D+01
      2   0.304795D+01 -0.916379D+01  0.902704D+01 -0.151214D+01 -0.962806D+00
      3   0.108973D+02 -0.263134D+01  0.719934D+01 -0.577587D+01 -0.508670D+00
                16            17            18            19            20 
      1  -0.243619D+01  0.750966D+01  0.801974D+01  0.146875D+01  0.505351D+01
      2  -0.696681D+01  0.223762D+01 -0.347543D+01  0.272269D+01  0.207434D+01
      3  -0.833524D+01  0.546331D+01  0.211655D+00 -0.672510D+01 -0.189603D+02
                21            22            23            24            25 
      1   0.132964D+00 -0.417165D+00  0.341148D+01 -0.184687D+01  0.235410D+01
      2   0.169141D+02 -0.106748D+01  0.277896D+01  0.283309D+00  0.384274D+01
      3  -0.211025D+01 -0.361336D+01 -0.127214D+01 -0.123639D+01  0.145148D+01
                26            27            28            29            30 
      1   0.184843D+01 -0.104129D+01  0.250030D+01 -0.195585D+01  0.196894D+01
      2  -0.289372D-01  0.725907D+01  0.209100D+01 -0.440503D+01  0.720022D-01
      3  -0.468275D+01 -0.259231D+01 -0.120149D+01 -0.160667D+01  0.167170D+01
                31            32            33            34            35 
      1  -0.297154D+01  0.193451D+00  0.232887D+01  0.855528D+00  0.436936D+01
      2  -0.461036D+01  0.203592D+01 -0.203093D+01 -0.564460D+01  0.266565D+00
      3   0.410042D+01  0.746720D+01 -0.344462D+00  0.359821D+01 -0.141602D+01
                36            37            38            39            40 
      1   0.778722D+00 -0.321055D+00  0.290191D-01 -0.894000D+00  0.957418D+00
      2  -0.271019D+01 -0.110367D+01  0.586288D+01  0.731770D+01  0.540289D+01
      3   0.633523D-01 -0.560520D+01 -0.479925D+01 -0.465933D+01  0.427507D+01
                41            42            43            44            45 
      1   0.876926D+00 -0.281675D+01  0.191700D+00  0.527795D+01 -0.111601D+01
      2   0.885984D+00 -0.435437D+01 -0.270807D+01 -0.398150D+01 -0.226930D+01
      3  -0.117024D+01 -0.367429D+00 -0.338223D+01 -0.253704D+00  0.585894D+01
                46            47            48            49            50 
      1  -0.161233D+01 -0.349070D+01  0.524013D+00 -0.384400D+01 -0.561314D+01
      2  -0.609596D+01  0.861702D+00 -0.369521D+01  0.321176D+00  0.245307D+01
      3   0.831032D+01  0.212949D+01  0.278520D+01  0.510604D+01 -0.343648D-01
                51            52            53            54            55 
      1  -0.119174D+02 -0.111620D+01 -0.333264D+01  0.100242D+02  0.285986D+01
      2   0.560385D+01 -0.602797D+01  0.279793D+01  0.148833D+01 -0.244339D+01
      3   0.174196D+01 -0.351310D-01 -0.758724D+00 -0.565868D+01 -0.133326D+02
                56            57            58            59            60 
      1   0.104852D+01  0.119825D+01  0.224153D+01  0.529956D+01 -0.701940D+01
      2  -0.275612D+01  0.153234D+01 -0.844178D+00 -0.260473D+01  0.320160D+00
      3  -0.723021D+01 -0.992616D+00  0.149903D+01 -0.617656D+01  0.420664D+00
                61            62            63            64            65 
      1   0.964733D+00  0.107833D+01  0.445142D+01 -0.664964D+00  0.201749D+00
      2  -0.292957D+01 -0.328991D+00 -0.120608D+01  0.863083D+00  0.101405D+01
      3  -0.456206D+01  0.207112D+01 -0.136284D+01 -0.206396D+00 -0.116126D+01
                66            67            68            69            70 
      1   0.150165D+00  0.887891D-01  0.367004D+00 -0.440945D+00  0.100545D+01
      2   0.698703D+00 -0.689209D-01  0.274619D+00  0.195929D+00 -0.430990D+01
      3   0.281595D-01  0.950528D+00 -0.333750D+00 -0.343854D+00  0.174615D+01
                71            72            73            74            75 
      1   0.337681D+01 -0.520476D+01 -0.899715D+00 -0.308262D+01 -0.273996D+01
      2  -0.657982D+00  0.312499D+01  0.162551D+01 -0.819106D+01 -0.209747D+01
      3  -0.395230D+00 -0.437864D+00  0.116949D+02  0.147395D+01  0.922638D+01
                76            77            78            79            80 
      1  -0.331844D+01 -0.267270D+00  0.159516D+01 -0.437144D+01  0.521396D+01
      2  -0.849608D+01 -0.317620D+01  0.109061D+02 -0.970700D+01  0.122781D+02
      3   0.988918D+01 -0.392501D+01  0.667800D+01  0.932297D+01  0.591233D+01
                81            82            83            84            85 
      1   0.210966D+01  0.539403D+01  0.455571D+01  0.605572D+01  0.558272D+01
      2   0.815220D+00  0.361530D+00 -0.133662D+02  0.317727D+01 -0.120226D+02
      3  -0.854143D+01  0.593295D+01 -0.900944D+01  0.740915D+01 -0.288088D+01
                86            87            88            89            90 
      1   0.414951D+01 -0.763262D+01  0.646062D+01 -0.105085D+01 -0.100892D+02
      2  -0.112000D+01  0.107074D+01 -0.318050D+01 -0.960175D-01  0.352561D+01
      3   0.253173D+01 -0.408524D+01  0.576839D+01 -0.324542D+01 -0.627383D+01
                91            92            93            94            95 
      1  -0.192841D+01  0.744684D+00 -0.617101D+00  0.249034D+01 -0.465535D+01
      2  -0.214642D-01  0.107836D+01 -0.540866D+00  0.327705D+01 -0.717901D+00
      3   0.213202D+00 -0.168670D+01  0.556572D+00 -0.823786D+00  0.187934D+01
                96            97            98            99           100 
      1   0.579499D+01 -0.166008D+01  0.645592D+01 -0.104914D+02  0.246402D+01
      2  -0.205224D+01 -0.484681D+01 -0.800508D+00  0.219837D+01 -0.277690D+01
      3  -0.166649D+01  0.126041D+01 -0.100977D+01  0.326390D+01  0.196096D+01
               101           102           103           104           105 
      1   0.281758D+01 -0.582537D+00  0.287659D+01  0.806142D+01 -0.994502D+00
      2  -0.212623D+01  0.141475D+01 -0.413177D+01 -0.254768D+01  0.137859D+00
      3  -0.395405D+00 -0.189348D+00  0.437868D+01 -0.184990D+01 -0.352386D+00
               106           107           108           109           110 
      1  -0.488731D+00  0.111667D+01 -0.471391D+00 -0.150705D+01 -0.584455D+00
      2  -0.771239D+00 -0.536781D+00 -0.768520D+00  0.182332D+01  0.198199D+01
      3   0.652260D+00  0.242229D+00  0.127957D+01  0.123725D+02  0.380000D+01
               111           112           113           114           115 
      1  -0.249118D+01 -0.102641D+01 -0.306210D+00 -0.177942D+01 -0.124631D+01
      2   0.190763D+01  0.102235D+01  0.135885D+01  0.103880D+01 -0.881747D-01
      3   0.241328D+00  0.530622D+01  0.418497D+01 -0.592114D-01  0.145087D+01
               116           117           118           119           120 
      1  -0.539155D+00  0.200201D+00  0.100120D-01 -0.357433D+00 -0.263983D+00
      2   0.876123D+00  0.496424D+00  0.244105D+01  0.155905D+01 -0.100952D+01
      3   0.301283D-01  0.738149D+00  0.195393D+01  0.136577D+01 -0.177248D+01
               121           122           123           124           125 
      1   0.896253D-02 -0.771813D+00 -0.322690D+01  0.287055D+00  0.630341D+00
      2   0.199630D+01  0.601599D+01 -0.728354D+01 -0.181005D+01 -0.689791D+01
      3   0.225800D+01  0.101594D+02 -0.649814D+01 -0.248436D+01 -0.732486D+01
               126           127           128           129           130 
      1   0.299507D+01 -0.175295D+01  0.106910D+01  0.228629D+01  0.177519D+01
      2   0.885363D+01 -0.404156D+01  0.335881D+01  0.547395D+01  0.310386D+01
      3   0.665299D+01  0.444590D+00 -0.356904D+01 -0.170987D+01 -0.177305D+01
               131           132           133           134           135 
      1  -0.146995D+01 -0.380526D+01  0.221045D+01 -0.617979D+00 -0.548050D+01
      2  -0.413300D+01 -0.620179D+01  0.420086D+01 -0.588948D+01 -0.111831D+02
      3   0.615181D+01  0.239650D+01 -0.166742D+01  0.536099D+01  0.407199D+01
               136           137           138           139           140 
      1   0.209354D+01  0.202703D+01  0.960688D+00  0.134208D+01  0.212687D+01
      2   0.191136D+01  0.141411D+01  0.547292D+01  0.181024D+01  0.145002D+01
      3  -0.926275D+01 -0.774956D+01 -0.376955D+01 -0.570044D+01 -0.759650D+01
               141           142           143           144           145 
      1  -0.464678D+00  0.150156D+01  0.158162D+01  0.561270D+00 -0.201632D+01
      2   0.291898D+01  0.249543D+01  0.290549D+00  0.327733D+01 -0.853449D+01
      3  -0.292285D+01 -0.385746D+01 -0.348199D+01 -0.193344D+01 -0.981208D+01
               146           147           148           149           150 
      1   0.247946D+01  0.118653D+01  0.123151D+01 -0.350628D+01 -0.919770D+00
      2   0.531817D+01 -0.198444D+01  0.533308D+01 -0.438124D+01  0.211578D+01
      3   0.512824D+01 -0.307105D+01  0.725230D+01 -0.618104D+01  0.319698D+01
               151           152           153           154           155 
      1  -0.736144D-01  0.144053D+01  0.123334D+01 -0.474663D+01 -0.445809D+01
      2  -0.348700D+01  0.259586D+01 -0.281752D+01  0.609267D+01  0.463447D+01
      3  -0.285945D+01  0.226009D+01 -0.232432D+01  0.234685D+01 -0.239117D+01
               156           157           158           159           160 
      1  -0.355993D+01 -0.431865D+01 -0.558365D+01 -0.257003D+01 -0.223115D+01
      2   0.411963D+01  0.502694D+01  0.387872D+01  0.233879D+01  0.177299D+01
      3  -0.415041D-01  0.207459D+01 -0.346739D+01  0.467048D+00  0.604280D+00
               161           162           163           164           165 
      1  -0.879414D+00 -0.170018D+01  0.186463D+01 -0.244503D+01 -0.322954D+01
      2   0.158366D+01  0.217733D+01  0.167908D-02  0.791221D+00  0.201481D+01
      3  -0.117288D+01  0.541636D+00  0.126649D+01 -0.186527D+01 -0.263744D+01
               166           167           168           169           170 
      1  -0.196718D+01  0.471155D+01  0.384347D+01 -0.382353D+01  0.637373D+01
      2  -0.106660D+00 -0.105800D+01 -0.344773D+01 -0.139598D+01 -0.990027D+00
      3  -0.423009D+00  0.293537D+01  0.294421D+01 -0.267967D+01  0.359973D+01
               171 
      1   0.988429D+01
      2  -0.822573D+01
      3   0.482408D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.849130D+01 -0.205025D+01 -0.375413D+01  0.317358D+01 -0.101840D+02
      2  -0.421891D+01  0.154530D+00 -0.315961D+00 -0.297645D+01  0.159507D+02
      3  -0.427239D+01  0.189572D+01  0.407009D+01 -0.197125D+00 -0.576674D+01
      4  -0.635253D+01  0.148222D+02  0.428294D+01  0.699477D+01 -0.742766D+01
      5  -0.645296D+01  0.494657D+01  0.135493D+02  0.337575D+01 -0.492603D+01
      6   0.356300D+01  0.326689D+00 -0.140687D+01 -0.157578D+01  0.845839D+01
                 6             7             8             9            10 
      1  -0.560756D+01  0.230922D+01 -0.493879D+01 -0.100486D+02 -0.525364D+02
      2   0.225754D+01  0.638076D+00  0.201648D+01 -0.293707D+01  0.307963D+02
      3   0.335002D+01 -0.294730D+01  0.292231D+01  0.129856D+02  0.217401D+02
      4  -0.269655D+01  0.334234D+01  0.293803D+01 -0.391806D+01 -0.422378D+01
      5   0.701303D+00  0.706518D+01 -0.425185D+01 -0.383803D+01 -0.193041D+02
      6   0.803367D+01 -0.123792D+01  0.962436D+01  0.903494D+01  0.317241D+01
                11            12            13            14            15 
      1   0.201179D+01 -0.950029D+01 -0.686241D+01  0.144152D+01  0.892066D+01
      2  -0.789407D+01  0.800315D+01  0.218253D+01 -0.476051D+00 -0.194791D+01
      3   0.588228D+01  0.149713D+01  0.467988D+01 -0.965464D+00 -0.697275D+01
      4  -0.154536D+02  0.135241D+01  0.530236D+01 -0.371713D+01  0.104042D+01
      5   0.138893D+01 -0.182848D+02 -0.165533D+01  0.353629D+00 -0.193602D+01
      6  -0.546161D+01  0.114213D+01 -0.477941D+00 -0.558034D+01  0.670449D+00
                16            17            18            19            20 
      1  -0.163152D+02  0.885632D+01 -0.154729D+00  0.104212D+03  0.215035D+00
      2   0.824975D+01 -0.835082D+01  0.253104D+00 -0.571849D+02  0.458881D+01
      3   0.806545D+01 -0.505496D+00 -0.983751D-01 -0.470272D+02 -0.480385D+01
      4  -0.125373D+01 -0.787335D+01  0.163078D+01  0.481645D-01  0.249122D+02
      5  -0.852273D+00  0.344029D+01 -0.669929D+01  0.247835D+02 -0.852378D+00
      6   0.187892D+01 -0.213521D+01 -0.535131D+01 -0.531912D+01  0.294927D+01
                21            22            23            24            25 
      1   0.161216D+02  0.383355D+01  0.966252D+01 -0.203934D+01  0.131373D+02
      2  -0.121665D+02 -0.315449D+01 -0.317447D+00  0.776814D+00 -0.107254D+02
      3  -0.395512D+01 -0.679060D+00 -0.934507D+01  0.126253D+01 -0.241189D+01
      4  -0.838198D+00  0.217262D+02  0.156808D+01  0.573415D+01 -0.145320D+01
      5   0.284942D+02 -0.132314D+01  0.448137D+01  0.759610D+00  0.279264D+02
      6  -0.230520D+01  0.346922D+01 -0.470090D+00  0.488348D+01 -0.264206D+01
                26            27            28            29            30 
      1  -0.181471D+01  0.128677D+02 -0.697023D+01  0.530418D+01  0.247372D+01
      2   0.149948D+01 -0.136451D+02  0.440760D+01 -0.602581D+01 -0.114836D+01
      3   0.315222D+00  0.777384D+00  0.256263D+01  0.721629D+00 -0.132536D+01
      4   0.635875D+01 -0.136566D+01  0.580007D+00 -0.681696D+00 -0.666284D+00
      5  -0.452571D+00  0.176380D+02  0.244116D+01 -0.309356D+00 -0.937375D+00
      6   0.503072D+01 -0.179385D+01  0.121078D+01 -0.860426D+00 -0.275535D+01
                31            32            33            34            35 
      1  -0.718507D+01  0.968890D+01 -0.727537D+01 -0.360388D-01 -0.107339D+02
      2   0.514398D+01 -0.163998D+02  0.517490D+01 -0.874757D+00  0.181321D+02
      3   0.204108D+01  0.671089D+01  0.210047D+01  0.910795D+00 -0.739818D+01
      4  -0.373285D+01 -0.158908D+01  0.180125D+01 -0.156460D+01 -0.157313D+01
      5  -0.142887D+01  0.577661D+00 -0.438380D+01 -0.252896D+01 -0.819152D+00
      6   0.140336D+01  0.204631D+01 -0.353849D+01 -0.943648D-01 -0.726366D+00
                36            37            38            39            40 
      1   0.948534D+01  0.177978D+01  0.940121D+01 -0.554452D+01  0.158382D+02
      2   0.125219D+02 -0.892483D+00 -0.187615D+01  0.413775D+01 -0.464034D+01
      3  -0.220073D+02 -0.887300D+00 -0.752506D+01  0.140677D+01 -0.111979D+02
      4   0.107850D+01  0.144480D+02  0.639953D-01  0.607221D+01 -0.106314D+00
      5  -0.602146D+01 -0.576600D+01  0.669920D+01  0.292733D+01  0.126871D+02
      6  -0.107698D+02 -0.245624D+01  0.565215D+01  0.118599D+01  0.406946D+01
                41            42            43            44            45 
      1   0.481593D+00  0.771427D+01 -0.366218D+01  0.753655D+01  0.396036D+01
      2   0.374253D+01 -0.482221D+01  0.139155D+01 -0.260436D+01 -0.712277D+01
      3  -0.422412D+01 -0.289206D+01  0.227063D+01 -0.493219D+01  0.316241D+01
      4   0.974440D-01  0.352609D+01  0.102273D+02  0.205110D+01 -0.975523D+01
      5   0.449580D+01 -0.103227D+02  0.471315D+01 -0.104727D+02  0.308881D+01
      6   0.565982D+01 -0.582484D+01 -0.301269D+01 -0.622182D+01  0.422141D+01
                46            47            48            49            50 
      1  -0.407351D+01  0.404952D+01  0.799047D+01  0.242926D+01  0.686851D+01
      2  -0.947638D+00 -0.759512D+01 -0.947571D+00 -0.830439D+01 -0.118145D+02
      3   0.502115D+01  0.354560D+01 -0.704290D+01  0.587514D+01  0.494597D+01
      4  -0.245956D+01 -0.129099D+02 -0.407064D+01 -0.708233D+01 -0.892307D+01
      5   0.389062D+01 -0.604609D+01 -0.807247D+01 -0.544013D+01 -0.761621D+01
      6   0.726551D+00 -0.989518D+01 -0.585199D+01 -0.909398D+01 -0.121906D+02
                51            52            53            54            55 
      1  -0.836795D+01  0.711840D+01 -0.673984D+01  0.682632D+01  0.488481D+01
      2  -0.113927D+02 -0.209933D+01 -0.736673D+01  0.109108D+02 -0.927439D+01
      3   0.197607D+02 -0.501907D+01  0.141066D+02 -0.177371D+02  0.438958D+01
      4  -0.566173D+01 -0.181012D+01 -0.204357D+01  0.180695D+01 -0.187150D+02
      5   0.581207D+01 -0.284645D+01  0.190919D+01 -0.658711D+01 -0.151329D+01
      6  -0.234080D+01 -0.190427D+01 -0.759212D-01  0.691046D+01 -0.368207D+01
                56            57            58            59            60 
      1   0.205668D+01 -0.205190D+00  0.377604D+01 -0.212937D+02  0.660158D+01
      2  -0.104123D+02  0.426537D+00 -0.717730D+01  0.311283D+02 -0.234216D+01
      3   0.835563D+01 -0.221347D+00  0.340126D+01 -0.983459D+01 -0.425943D+01
      4  -0.735827D+01 -0.278661D+01 -0.100697D+01 -0.616017D+01 -0.217413D+01
      5  -0.752620D+00  0.325462D+01 -0.159002D+00 -0.144736D+01  0.179769D+01
      6  -0.209141D+01 -0.106860D+01 -0.194447D+01 -0.515859D+01  0.867195D+01
                61            62            63            64            65 
      1  -0.112468D+01  0.974077D+01 -0.836864D+01  0.274158D+00 -0.490384D+00
      2  -0.187043D+00 -0.147693D+02  0.257828D+01 -0.334113D+01 -0.203740D+00
      3   0.131172D+01  0.502857D+01  0.579036D+01  0.306698D+01  0.694124D+00
      4  -0.517481D+01 -0.369373D+01  0.227302D+00 -0.333896D+00  0.258906D+01
      5   0.313280D+01  0.200283D+01 -0.226544D+01  0.116629D+01  0.140017D+01
      6  -0.967504D+00  0.109516D+02 -0.624122D+01  0.214673D+01  0.288722D+00
                66            67            68            69            70 
      1   0.422680D+00  0.231286D+00 -0.592015D+01 -0.377805D+01  0.348337D+00
      2  -0.642310D+00 -0.236263D+00  0.312193D+01  0.987834D+00 -0.236637D+00
      3   0.219630D+00  0.497638D-02  0.279822D+01  0.279021D+01 -0.111700D+00
      4   0.267600D+01  0.172739D+01  0.530917D+00  0.210923D+00  0.169881D+01
      5   0.702801D+01  0.679494D+00  0.452526D+00  0.752730D+00  0.587770D+01
      6   0.806523D+00  0.279341D+00  0.480144D+01  0.882496D+01  0.878613D+00
                71            72            73            74            75 
      1  -0.482236D+01 -0.193112D+02 -0.123295D+02 -0.177264D+02 -0.352924D+01
      2   0.753640D+00 -0.160474D+02  0.109277D+02  0.111054D+02  0.598825D+01
      3   0.406872D+01  0.353585D+02  0.140185D+01  0.662103D+01 -0.245901D+01
      4   0.954779D+00  0.220206D+00 -0.191031D+02 -0.851478D+00 -0.168867D+02
      5   0.112984D+01  0.552173D+01 -0.177921D+01 -0.186168D+02 -0.875220D+01
      6   0.772307D+01  0.172504D+02 -0.573289D+01  0.352848D+01  0.620548D+00
                76            77            78            79            80 
      1  -0.236426D+02 -0.569932D+00 -0.212273D+02 -0.415942D+01 -0.194529D+02
      2   0.149299D+02  0.719214D+00  0.108444D+02  0.681939D+01  0.875475D+01
      3   0.871270D+01 -0.149282D+00  0.103829D+02 -0.265996D+01  0.106981D+02
      4  -0.410546D+01  0.441223D+01 -0.121870D+01 -0.201429D+02  0.108363D+01
      5  -0.231792D+02 -0.399306D+01  0.142176D+02 -0.131496D+02  0.162149D+02
      6   0.357953D+01  0.171982D+01 -0.932556D+01  0.389646D+01 -0.980948D+01
                81            82            83            84            85 
      1  -0.301269D+01  0.367050D+01 -0.207776D+02  0.494897D+01 -0.203072D+02
      2  -0.165039D+01 -0.106825D+02  0.245930D+01 -0.120266D+02 -0.398346D+00
      3   0.466308D+01  0.701201D+01  0.183183D+02  0.707768D+01  0.207055D+02
      4   0.168850D+02 -0.140432D+02 -0.140755D+02 -0.573106D+01 -0.148786D+02
      5   0.373522D+01  0.103926D+01  0.446955D+00 -0.450841D+01 -0.214300D+01
      6  -0.365421D+00  0.761125D+01 -0.764444D+01  0.671252D+01 -0.732157D+01
                86            87            88            89            90 
      1  -0.246259D+01 -0.313224D+01  0.164631D+01 -0.426657D+01 -0.236937D+01
      2  -0.400088D+01  0.105779D+02 -0.120684D+02  0.814419D+01  0.151652D+02
      3   0.646347D+01 -0.744570D+01  0.104221D+02 -0.387762D+01 -0.127959D+02
      4  -0.502767D+01 -0.765624D+01 -0.931061D+01 -0.107274D+02  0.979326D+01
      5  -0.354712D+01  0.192510D+02 -0.640962D+01  0.163635D+02  0.937011D+01
      6  -0.136951D+01  0.592156D+01  0.738629D+01  0.654481D+01 -0.856126D+01
                91            92            93            94            95 
      1  -0.474130D+00 -0.621833D+00  0.108478D+00 -0.476470D+00 -0.520005D+01
      2  -0.411938D+01  0.122691D+01 -0.171065D+01  0.269283D+01 -0.103844D+01
      3   0.459351D+01 -0.605080D+00  0.160217D+01 -0.221636D+01  0.623849D+01
      4  -0.183872D+00  0.232319D+01  0.655852D+00  0.170071D+01  0.139643D+00
      5   0.182774D+01 -0.131303D+01  0.874749D+01 -0.275839D+01  0.250764D+01
      6  -0.870181D+00  0.109434D+01  0.648667D+00  0.298376D+01 -0.299350D+01
                96            97            98            99           100 
      1   0.795446D+01 -0.258274D+01  0.300187D+01 -0.224542D+02  0.370076D+00
      2   0.889480D+01 -0.197185D+01  0.479811D+01 -0.207606D+02  0.480257D+01
      3  -0.168493D+02  0.455459D+01 -0.779998D+01  0.432147D+02 -0.517264D+01
      4   0.212160D+01  0.708098D+00  0.176477D+01 -0.122337D+01  0.915750D+01
      5  -0.463445D+01  0.722995D+01 -0.101408D+01  0.898741D+01  0.523256D+01
      6   0.616822D+01 -0.201757D+00  0.589250D+01  0.117746D+00  0.596828D+01
               101           102           103           104           105 
      1  -0.342588D+01 -0.217207D+01 -0.371178D+01 -0.185887D+02 -0.730373D+01
      2   0.723089D+01  0.126651D+01  0.738278D+01  0.290019D+02  0.757040D+01
      3  -0.380501D+01  0.905565D+00 -0.367100D+01 -0.104132D+02 -0.266672D+00
      4   0.125358D+02  0.463489D+01  0.116861D+02  0.160094D+02  0.541955D+01
      5   0.641674D+01  0.523609D+01  0.547220D+01  0.688935D+01  0.418607D+01
      6   0.782781D+01  0.569606D+01  0.690316D+01  0.221938D+02  0.131527D+02
               106           107           108           109           110 
      1  -0.263073D+01 -0.356527D+01 -0.620477D+01  0.168694D+01 -0.365818D+01
      2   0.371157D+00  0.219824D+01  0.173300D+01  0.104438D+02  0.163675D+02
      3   0.225958D+01  0.136703D+01  0.447177D+01 -0.121308D+02 -0.127093D+02
      4   0.156715D+01  0.235128D+01  0.308398D+01  0.235456D+02  0.222543D+02
      5   0.254910D+01  0.280947D+01  0.343500D+01 -0.235443D+00 -0.121731D+00
      6   0.366165D+01  0.882194D+01  0.612937D+01  0.176178D+01  0.119209D+01
               111           112           113           114           115 
      1   0.191354D-01 -0.179285D+01 -0.621590D+01 -0.797782D-01 -0.281418D+00
      2  -0.416501D+00  0.928184D+01  0.170281D+02  0.189695D+00  0.120143D+01
      3   0.397365D+00 -0.748899D+01 -0.108122D+02 -0.109917D+00 -0.920017D+00
      4   0.248332D+00  0.136021D+02  0.141561D+02  0.138730D+00  0.267338D+01
      5   0.217434D+01 -0.213096D+00  0.208466D+00  0.995895D+00  0.301642D+01
      6   0.337334D+01  0.838917D+00  0.126599D+01  0.283621D+01  0.361175D+01
               116           117           118           119           120 
      1  -0.971778D+00 -0.129111D+01 -0.166933D+01 -0.168833D+01  0.389284D+01
      2   0.200863D+01  0.166398D+01  0.982872D+00  0.881791D+00 -0.132745D+01
      3  -0.103686D+01 -0.372874D+00  0.686458D+00  0.806537D+00 -0.256539D+01
      4   0.255696D+01  0.346168D+01  0.131532D+01  0.146791D+01  0.105228D+00
      5   0.224924D+01  0.490396D+00  0.126386D+01  0.849086D+00  0.944939D+00
      6   0.499060D+01  0.339887D+00 -0.144387D+01 -0.945154D+00  0.794468D+00
               121           122           123           124           125 
      1  -0.364170D+01 -0.874669D+01  0.846047D+01  0.625942D+01  0.867843D+01
      2   0.120420D+01  0.119785D+02 -0.580346D+01 -0.320917D+01 -0.597719D+01
      3   0.243750D+01 -0.323178D+01 -0.265701D+01 -0.305025D+01 -0.270124D+01
      4   0.681384D+01 -0.163249D+02  0.949239D+01 -0.284759D+01  0.109567D+02
      5  -0.804658D+00  0.996360D+01 -0.121803D+02  0.584684D+01 -0.117069D+02
      6   0.703570D+00 -0.114401D+02  0.115595D+02 -0.142227D+01  0.119242D+02
               126           127           128           129           130 
      1  -0.842485D+01  0.164527D+02 -0.490627D+01 -0.650013D+01 -0.527914D+01
      2   0.670395D+00 -0.712662D+01 -0.388106D+00  0.159842D+01 -0.111903D+01
      3   0.775446D+01 -0.932604D+01  0.529438D+01  0.490171D+01  0.639817D+01
      4  -0.110231D+02 -0.101748D+02  0.102492D+02  0.820317D+01  0.132235D+02
      5   0.147910D+02 -0.859439D+01  0.705743D+01  0.106113D+02  0.800052D+01
      6  -0.123275D+02  0.396768D+01 -0.255568D+01 -0.298496D+01 -0.380114D+01
               131           132           133           134           135 
      1   0.208414D+01  0.342285D+01 -0.130538D+02  0.457376D+01  0.378633D+01
      2   0.540639D+01  0.122766D+01  0.524340D+01  0.157330D+01 -0.293484D+01
      3  -0.749053D+01 -0.465051D+01  0.781035D+01 -0.614706D+01 -0.851492D+00
      4  -0.162358D+02 -0.874696D+01  0.141039D+02 -0.137533D+02 -0.124070D+02
      5  -0.776626D+01 -0.103129D+02  0.151854D+02 -0.117694D+02 -0.211672D+02
      6   0.591232D+01  0.774440D+01 -0.571339D+01  0.841362D+01  0.992435D+01
               136           137           138           139           140 
      1   0.460604D+02  0.118685D+02  0.113777D+02  0.241242D+02  0.875960D+01
      2  -0.270722D+02 -0.796194D+01 -0.898890D+01 -0.144424D+02 -0.446866D+01
      3  -0.189882D+02 -0.390651D+01 -0.238881D+01 -0.968180D+01 -0.429094D+01
      4   0.848657D+01  0.101626D+02  0.399871D+01  0.121819D+02  0.115561D+02
      5   0.163352D+02  0.605608D+01  0.128352D+02  0.108894D+02  0.546899D+01
      6   0.144467D+01  0.104321D+01  0.163208D+00  0.199057D+01  0.242533D+01
               141           142           143           144           145 
      1   0.677484D+01  0.127296D+02  0.464787D+01  0.760294D+01 -0.912160D+01
      2  -0.566322D+01 -0.102171D+02 -0.377436D+01 -0.696014D+01  0.758207D+01
      3  -0.111162D+01 -0.251253D+01 -0.873505D+00 -0.642804D+00  0.153953D+01
      4   0.421302D+01  0.408878D+01  0.394574D+01  0.129141D+01 -0.641569D+01
      5   0.690244D+01  0.147670D+02  0.267251D+01  0.991741D+01  0.797516D+01
      6   0.317777D+01  0.432223D+00  0.351395D+01  0.976012D+00 -0.688635D+01
               146           147           148           149           150 
      1   0.134318D+02 -0.857537D+01  0.105327D+02 -0.145419D+02  0.799495D+01
      2  -0.111731D+02  0.327522D+01 -0.798801D+01  0.167035D+02 -0.549189D+01
      3  -0.225865D+01  0.530015D+01 -0.254472D+01 -0.216158D+01 -0.250306D+01
      4   0.408351D+01 -0.591356D+00  0.646802D+01  0.352110D-01  0.622270D+00
      5  -0.324123D+01  0.211577D+01 -0.405047D+01  0.213944D+01 -0.182960D+01
      6   0.103395D+02 -0.892458D+01  0.643353D+01 -0.130157D+02  0.860087D+01
               151           152           153           154           155 
      1  -0.495482D+01  0.698318D+01 -0.744703D+01  0.205560D+02  0.956745D+01
      2   0.263373D+01 -0.379583D+01 -0.107285D+00 -0.123451D+01  0.552941D+01
      3   0.232110D+01 -0.318735D+01  0.755431D+01 -0.193215D+02 -0.150969D+02
      4  -0.946954D+00  0.133278D+01 -0.174520D+01  0.251725D+02  0.216968D+02
      5   0.410340D+01 -0.217478D+01 -0.116404D+00 -0.743943D+01 -0.500723D+01
      6  -0.541664D+01  0.776274D+01 -0.692831D+01 -0.426788D+01 -0.384710D+01
               156           157           158           159           160 
      1   0.166546D+01  0.893232D+01  0.180510D+01  0.165320D+01  0.538789D+01
      2   0.251940D+01  0.546767D+01  0.138241D+02  0.420103D+00  0.128087D+01
      3  -0.418486D+01 -0.144000D+02 -0.156292D+02 -0.207330D+01 -0.666876D+01
      4   0.397239D+00  0.204467D+02  0.228159D+02  0.831043D+00  0.662770D+01
      5   0.620576D+01 -0.493525D+01 -0.373893D+01  0.189092D+01  0.370601D+01
      6   0.343147D+01 -0.311413D+01 -0.602264D+01  0.404805D+01  0.207600D+01
               161           162           163           164           165 
      1   0.174200D+01  0.226025D+01  0.442333D+01  0.285895D+00 -0.348876D+01
      2   0.286130D+01 -0.732251D+00 -0.669188D+01  0.256239D+01  0.959993D+01
      3  -0.460331D+01 -0.152800D+01  0.226854D+01 -0.284828D+01 -0.611116D+01
      4   0.683660D+01  0.347261D+01  0.138686D+01  0.420716D+01  0.138028D+00
      5   0.101433D+01  0.973002D+00 -0.105569D+02  0.219343D+01  0.135067D+02
      6   0.234051D+01  0.244864D+01 -0.914529D+00 -0.941267D+00  0.722643D+00
               166           167           168           169           170 
      1  -0.139544D+01 -0.426658D+00 -0.148205D+01 -0.301122D+01  0.749175D+00
      2   0.499818D+01 -0.337257D+01 -0.986628D+01  0.108846D+02 -0.689770D+01
      3  -0.360275D+01  0.379923D+01  0.113483D+02 -0.787340D+01  0.614852D+01
      4   0.330436D+01 -0.378037D+01 -0.268357D+01 -0.533001D+00 -0.346664D+01
      5   0.698607D+01 -0.450349D+01 -0.116675D+02  0.149330D+02 -0.500953D+01
      6  -0.101186D+01  0.495209D+01  0.381184D+01  0.926082D+00  0.547180D+01
               171 
      1  -0.908618D+01
      2  -0.239828D+02
      3   0.330689D+02
      4  -0.151404D+01
      5  -0.269396D+02
      6  -0.382037D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 18:42:29 2021, MaxMem= 10737418240 cpu:           12500.9 elap:             782.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.20221 -19.17735 -19.14743 -10.31998 -10.26052
 Alpha  occ. eigenvalues --  -10.25343 -10.22114 -10.19513 -10.18910  -1.12366
 Alpha  occ. eigenvalues --   -1.05458  -1.04424  -0.84765  -0.74126  -0.71525
 Alpha  occ. eigenvalues --   -0.71074  -0.60003  -0.57891  -0.54822  -0.51990
 Alpha  occ. eigenvalues --   -0.49745  -0.48043  -0.46227  -0.43994  -0.42720
 Alpha  occ. eigenvalues --   -0.41531  -0.40716  -0.39898  -0.39281  -0.37018
 Alpha  occ. eigenvalues --   -0.35729  -0.34470  -0.31720  -0.31217  -0.27620
 Alpha virt. eigenvalues --   -0.02563  -0.01418  -0.00031   0.00463   0.00789
 Alpha virt. eigenvalues --    0.02177   0.02537   0.03209   0.03441   0.04105
 Alpha virt. eigenvalues --    0.05657   0.05835   0.06633   0.07098   0.08101
 Alpha virt. eigenvalues --    0.08438   0.08841   0.09165   0.09429   0.09814
 Alpha virt. eigenvalues --    0.10041   0.10743   0.11002   0.11605   0.12002
 Alpha virt. eigenvalues --    0.12872   0.13103   0.13554   0.13766   0.14154
 Alpha virt. eigenvalues --    0.14579   0.14820   0.15068   0.15430   0.17635
 Alpha virt. eigenvalues --    0.17996   0.18728   0.19383   0.19644   0.20043
 Alpha virt. eigenvalues --    0.21394   0.21861   0.22297   0.22747   0.23357
 Alpha virt. eigenvalues --    0.23884   0.25500   0.25931   0.26626   0.27149
 Alpha virt. eigenvalues --    0.27658   0.28057   0.28496   0.29228   0.29404
 Alpha virt. eigenvalues --    0.30386   0.30756   0.31222   0.31975   0.32365
 Alpha virt. eigenvalues --    0.33072   0.34140   0.34929   0.35085   0.35742
 Alpha virt. eigenvalues --    0.36946   0.37226   0.37644   0.38342   0.38523
 Alpha virt. eigenvalues --    0.38966   0.40425   0.40753   0.41174   0.42348
 Alpha virt. eigenvalues --    0.43244   0.43432   0.45065   0.45651   0.46912
 Alpha virt. eigenvalues --    0.47344   0.47609   0.49266   0.49748   0.50794
 Alpha virt. eigenvalues --    0.51384   0.51734   0.51914   0.53201   0.53577
 Alpha virt. eigenvalues --    0.55185   0.55899   0.56711   0.58021   0.58581
 Alpha virt. eigenvalues --    0.59352   0.60059   0.61414   0.61738   0.62404
 Alpha virt. eigenvalues --    0.63551   0.64266   0.64652   0.66423   0.67048
 Alpha virt. eigenvalues --    0.67608   0.68586   0.68776   0.70444   0.70663
 Alpha virt. eigenvalues --    0.71441   0.71942   0.73018   0.74691   0.76256
 Alpha virt. eigenvalues --    0.76822   0.77181   0.78087   0.78459   0.79295
 Alpha virt. eigenvalues --    0.80585   0.81626   0.82814   0.84332   0.85553
 Alpha virt. eigenvalues --    0.86119   0.88051   0.89410   0.89762   0.90902
 Alpha virt. eigenvalues --    0.92267   0.93470   0.94887   0.97481   0.99425
 Alpha virt. eigenvalues --    1.00537   1.01525   1.02722   1.03622   1.05184
 Alpha virt. eigenvalues --    1.07316   1.08687   1.10143   1.11059   1.12999
 Alpha virt. eigenvalues --    1.14153   1.16465   1.17518   1.19476   1.20120
 Alpha virt. eigenvalues --    1.21264   1.22431   1.24431   1.26613   1.26781
 Alpha virt. eigenvalues --    1.31258   1.33558   1.35289   1.37659   1.38642
 Alpha virt. eigenvalues --    1.41581   1.42266   1.44068   1.45203   1.48149
 Alpha virt. eigenvalues --    1.50237   1.51047   1.53669   1.54462   1.56375
 Alpha virt. eigenvalues --    1.57807   1.59516   1.61009   1.61775   1.63699
 Alpha virt. eigenvalues --    1.65102   1.65528   1.67810   1.69596   1.70574
 Alpha virt. eigenvalues --    1.71395   1.74162   1.75367   1.76242   1.76953
 Alpha virt. eigenvalues --    1.79056   1.79804   1.80577   1.83683   1.84355
 Alpha virt. eigenvalues --    1.84658   1.85213   1.90932   1.92957   1.94153
 Alpha virt. eigenvalues --    1.95705   1.97341   1.98318   2.02950   2.03997
 Alpha virt. eigenvalues --    2.04705   2.07666   2.08044   2.09644   2.10543
 Alpha virt. eigenvalues --    2.12899   2.14499   2.16885   2.18579   2.21277
 Alpha virt. eigenvalues --    2.22073   2.25099   2.26546   2.27856   2.29477
 Alpha virt. eigenvalues --    2.29810   2.31776   2.32642   2.35095   2.38510
 Alpha virt. eigenvalues --    2.40758   2.42423   2.43440   2.45595   2.47608
 Alpha virt. eigenvalues --    2.52349   2.53937   2.56731   2.58044   2.59653
 Alpha virt. eigenvalues --    2.63728   2.64290   2.66269   2.69393   2.70927
 Alpha virt. eigenvalues --    2.74463   2.78933   2.88445   2.89650   2.97349
 Alpha virt. eigenvalues --    3.02091   3.08018   3.19560   3.21991   3.26693
 Alpha virt. eigenvalues --    3.36061   3.38128   3.40887   3.41509   3.43912
 Alpha virt. eigenvalues --    3.45043   3.47976   3.52395   3.54603   3.57175
 Alpha virt. eigenvalues --    3.57806   3.67357   3.71644   3.79233   3.86800
 Alpha virt. eigenvalues --    4.03264   4.11281
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.760886  -0.123146  -0.064393  -0.031897   0.181810   0.010018
     2  C   -0.123146   7.361461   0.053967  -1.483879  -0.222851  -0.242960
     3  O   -0.064393   0.053967   8.447010  -0.007610   0.100788   0.015315
     4  C   -0.031897  -1.483879  -0.007610   9.178419  -1.304917  -0.103926
     5  C    0.181810  -0.222851   0.100788  -1.304917   9.710949  -0.418791
     6  C    0.010018  -0.242960   0.015315  -0.103926  -0.418791   5.671167
     7  O    0.015635   0.177938   0.010794  -0.527164  -0.047746   0.104211
     8  H    0.053674   0.019598   0.036947  -1.103165   0.111215   0.002118
     9  C   -0.044910  -0.212849   0.023263   0.352331  -1.084940  -0.031521
    10  C    0.047879   0.190827  -0.025023  -0.719288   0.283675  -0.343893
    11  H   -0.055963   0.071848  -0.012015   0.047729   0.429092  -0.435630
    12  H   -0.218947   0.019860  -0.005714   0.173447  -0.385650   0.082309
    13  H   -0.001113  -0.063438   0.004780   0.074442   0.004021  -0.023556
    14  H   -0.007757  -0.018096   0.000300  -0.025702   0.298528   0.086665
    15  H   -0.007026  -0.012786   0.000630   0.039802  -0.050685   0.002978
    16  H    0.016277   0.010675   0.000901  -0.049681   0.102327  -0.091601
    17  H    0.015330  -0.095057   0.012591   0.036620   0.445533  -0.071164
    18  H   -0.003117  -0.019015  -0.002100  -0.144443   0.165158   0.085017
    19  H   -0.001902   0.120420  -0.007664   0.108342  -0.267158  -0.051544
               7          8          9         10         11         12
     1  O    0.015635   0.053674  -0.044910   0.047879  -0.055963  -0.218947
     2  C    0.177938   0.019598  -0.212849   0.190827   0.071848   0.019860
     3  O    0.010794   0.036947   0.023263  -0.025023  -0.012015  -0.005714
     4  C   -0.527164  -1.103165   0.352331  -0.719288   0.047729   0.173447
     5  C   -0.047746   0.111215  -1.084940   0.283675   0.429092  -0.385650
     6  C    0.104211   0.002118  -0.031521  -0.343893  -0.435630   0.082309
     7  O    8.575118   0.023529  -0.013941   0.036523  -0.035905   0.014613
     8  H    0.023529   2.410831  -0.134220   0.224434   0.019270  -0.010499
     9  C   -0.013941  -0.134220   5.791821  -0.416441  -0.289354   0.161163
    10  C    0.036523   0.224434  -0.416441   5.439406   0.099618  -0.161704
    11  H   -0.035905   0.019270  -0.289354   0.099618   2.347886  -0.655749
    12  H    0.014613  -0.010499   0.161163  -0.161704  -0.655749   2.488283
    13  H    0.272703  -0.040744   0.005343  -0.013178  -0.000523   0.002418
    14  H   -0.057576   0.000700   0.035282  -0.111667  -0.044992   0.014431
    15  H    0.029604  -0.035815   0.220852  -0.065837  -0.004172   0.007300
    16  H    0.014199   0.002706  -0.092766   0.184124  -0.016214  -0.008930
    17  H   -0.011203  -0.029435  -0.107039  -0.078131   0.027790  -0.063720
    18  H    0.003399   0.030127   0.154274  -0.057034   0.027458  -0.062846
    19  H    0.014120  -0.037921   0.006433   0.196876  -0.022039   0.035796
              13         14         15         16         17         18
     1  O   -0.001113  -0.007757  -0.007026   0.016277   0.015330  -0.003117
     2  C   -0.063438  -0.018096  -0.012786   0.010675  -0.095057  -0.019015
     3  O    0.004780   0.000300   0.000630   0.000901   0.012591  -0.002100
     4  C    0.074442  -0.025702   0.039802  -0.049681   0.036620  -0.144443
     5  C    0.004021   0.298528  -0.050685   0.102327   0.445533   0.165158
     6  C   -0.023556   0.086665   0.002978  -0.091601  -0.071164   0.085017
     7  O    0.272703  -0.057576   0.029604   0.014199  -0.011203   0.003399
     8  H   -0.040744   0.000700  -0.035815   0.002706  -0.029435   0.030127
     9  C    0.005343   0.035282   0.220852  -0.092766  -0.107039   0.154274
    10  C   -0.013178  -0.111667  -0.065837   0.184124  -0.078131  -0.057034
    11  H   -0.000523  -0.044992  -0.004172  -0.016214   0.027790   0.027458
    12  H    0.002418   0.014431   0.007300  -0.008930  -0.063720  -0.062846
    13  H    0.684208   0.005500  -0.003034   0.002320  -0.001625  -0.001777
    14  H    0.005500   2.104368  -0.490171  -0.507049  -0.036740   0.022747
    15  H   -0.003034  -0.490171   2.071572  -0.468181   0.025712   0.008331
    16  H    0.002320  -0.507049  -0.468181   2.102036   0.010289  -0.065530
    17  H   -0.001625  -0.036740   0.025712   0.010289   2.114072  -0.478338
    18  H   -0.001777   0.022747   0.008331  -0.065530  -0.478338   2.246705
    19  H    0.002547   0.015602  -0.060261   0.040278  -0.492744  -0.587204
              19
     1  O   -0.001902
     2  C    0.120420
     3  O   -0.007664
     4  C    0.108342
     5  C   -0.267158
     6  C   -0.051544
     7  O    0.014120
     8  H   -0.037921
     9  C    0.006433
    10  C    0.196876
    11  H   -0.022039
    12  H    0.035796
    13  H    0.002547
    14  H    0.015602
    15  H   -0.060261
    16  H    0.040278
    17  H   -0.492744
    18  H   -0.587204
    19  H    2.293013
 Mulliken charges:
               1
     1  O   -0.541335
     2  C    0.467483
     3  O   -0.582767
     4  C    1.490540
     5  C   -2.050358
     6  C    1.754788
     7  O   -0.598854
     8  H   -0.543348
     9  C    1.677219
    10  C    1.288833
    11  H   -0.498135
    12  H   -0.425861
    13  H    0.090705
    14  H   -0.284373
    15  H   -0.208814
    16  H   -0.186181
    17  H   -0.222739
    18  H   -0.321815
    19  H   -0.304988
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.541335
     2  C    0.467483
     3  O   -0.582767
     4  C    0.947192
     5  C   -2.050358
     6  C    0.830792
     7  O   -0.508148
     9  C    0.997851
    10  C    0.439291
 Electronic spatial extent (au):  <R**2>=           1089.0564
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.6249    Y=              0.2439    Z=              0.2327  Tot=              3.6405
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -62.7598   YY=            -54.0375   ZZ=            -53.2479
   XY=              5.6101   XZ=             -0.5960   YZ=              0.9373
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.0781   YY=              2.6443   ZZ=              3.4338
   XY=              5.6101   XZ=             -0.5960   YZ=              0.9373
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -17.8400  YYY=              5.4704  ZZZ=             -3.0717  XYY=              9.3944
  XXY=              8.4673  XXZ=             -6.1258  XZZ=              0.5988  YZZ=              1.7070
  YYZ=              1.3943  XYZ=             -2.9421
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -837.5164 YYYY=           -383.3782 ZZZZ=           -256.3584 XXXY=             15.9163
 XXXZ=            -15.5940 YYYX=             28.3827 YYYZ=              5.7759 ZZZX=              0.4242
 ZZZY=              5.2572 XXYY=           -178.1125 XXZZ=           -174.2718 YYZZ=           -109.4929
 XXYZ=              0.0220 YYXZ=              5.0188 ZZXY=             -0.3698
 N-N= 4.970008544833D+02 E-N=-2.069772479939D+03  KE= 4.577301616141D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 18:42:29 2021, MaxMem= 10737418240 cpu:               6.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.38050933D+00 1.20939964D-01 9.20778122D-02
 Polarizability= 8.73560390D+01 2.37664587D+00 7.40382106D+01
                 4.08341163D+00 1.01509089D+00 7.13563145D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.1568   -2.1568        1.0665    1.0676
 2      2.1568    2.1568       -0.5972   -0.5971       -7.1138   -7.1140
 3     -1.0666   -1.0676        8.5939    8.5948        0.5977    0.5971
 4      0.5972    0.5971        0.0000    0.0000       -1.0686   -1.0676
 5     -1.4801   -1.4808        1.0686    1.0676       -2.1561   -2.1568
 6     -0.5977   -0.5971        2.1561    2.1568       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        6.4703    6.4703        3.2027    3.2027
 2      1.7913    1.7913        0.0000    0.0000        3.2027    3.2027
 3      1.7913    1.7913        6.4703    6.4703        0.0000    0.0000
 4      6.4703    6.4703       -1.7913   -1.7913      -21.3419  -21.3419
 5     -3.2027   -3.2027       25.7843   25.7843        1.7913    1.7913
 6     -4.4424   -4.4424        3.2027    3.2027       -6.4703   -6.4703
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0136    0.0000        8.5964    8.6271       -4.2752   -4.2703
 2     -8.5914   -8.6271        2.3857    2.3884       28.4178   28.4559
 3      4.2621    4.2703      -34.3829  -34.3791       -2.3888   -2.3884
 4     -2.4093   -2.3884       -0.0194    0.0000        4.2598    4.2703
 5      5.8828    5.9232       -4.2675   -4.2703        8.6589    8.6271
 6      2.3888    2.3884       -8.6256   -8.6271        0.0127    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0060    0.0000       -6.1092   -6.0604      -14.8575  -14.8217
 2      6.0659    6.0604        1.7914    1.8458       -7.4452   -7.4031
 3     14.8798   14.8217      -25.7340  -25.7811       -1.8859   -1.8458
 4     -1.8054   -1.8458       -0.0209    0.0000       14.8288   14.8217
 5     33.1520   33.1842      -14.7836  -14.8217       -6.0724   -6.0604
 6      1.8434    1.8458        6.1193    6.0604        0.0025    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      6.8928    6.8691       -6.4489   -6.3866       27.1840   27.2193
 2      7.0318    6.9651      -10.1265  -10.0099       27.1775   27.2193
 3      7.0206    6.9651       -6.4951   -6.3866       41.3475   41.3816
 4      3.6272    3.6234       -0.1106   -0.0960      -17.8581  -17.8363
 5     14.2304   14.1623      -29.2304  -29.2461        0.0413    0.0960
 6     47.0336   47.0824      -14.1865  -14.1623       -3.6400   -3.6234
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.5123   -3.5133   -0.0002    0.0004    0.0006    7.4972
 Low frequencies ---   79.8270  183.5030  209.6441
 Diagonal vibrational polarizability:
       11.1112142      31.7701491      20.4269910
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     79.8238               183.5024               209.6440
 Red. masses --      5.3286                 3.6827                 1.1920
 Frc consts  --      0.0200                 0.0731                 0.0309
 IR Inten    --      3.4978                 0.6266                 0.1246
 RamAct Fr= 1--      0.6885                 0.5675                 0.1778
  Dep-P Fr= 1--      0.7493                 0.7121                 0.7086
  Dep-U Fr= 1--      0.8567                 0.8319                 0.8295
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0001
 Beta2  Fr= 1--      0.0983                 0.0787                 0.0246
 AlphaG Fr= 1--      0.0003                -0.0042                -0.0005
 Gamma2 Fr= 1--     -0.0991                 0.1488                 0.0942
 Delta2 Fr= 1--     -0.0556                -0.0434                 0.0175
 Raman1 Fr= 1--       2.754                  2.270                  0.711
 ROA1   Fr= 1--     -11.293                 12.894                  9.602
 CID1   Fr= 1--      -4.101                  5.680                 13.498
 Raman2 Fr= 1--       1.180                  0.944                  0.295
 ROA2   Fr= 1--      -1.933                  3.918                  2.121
 CID2   Fr= 1--      -1.639                  4.150                  7.189
 Raman3 Fr= 1--       2.359                  1.888                  0.590
 ROA3   Fr= 1--     -11.293                 12.894                  9.602
 CID3   Fr= 1--      -4.787                  6.828                 16.273
 RC180  Fr= 1--       0.713                  0.664                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.11   0.06    -0.06  -0.17   0.23     0.02   0.00  -0.00
     2   6     0.03   0.01  -0.07    -0.01  -0.01   0.05     0.01   0.00   0.00
     3   8     0.08   0.19  -0.26     0.02   0.16  -0.09     0.00   0.02   0.01
     4   6     0.01  -0.08   0.06    -0.01   0.01   0.01    -0.01  -0.02  -0.00
     5   6    -0.01  -0.03  -0.01    -0.02   0.02  -0.01     0.00  -0.02  -0.01
     6   6    -0.00  -0.15   0.07     0.03   0.11  -0.03     0.01  -0.01  -0.01
     7   8    -0.01   0.05   0.27     0.05  -0.05  -0.08    -0.04  -0.03  -0.02
     8   1     0.03  -0.25   0.09    -0.04   0.07  -0.00    -0.02  -0.01  -0.00
     9   6     0.08   0.04  -0.16    -0.02   0.06   0.10     0.04   0.06   0.05
    10   6    -0.19   0.06   0.02    -0.00  -0.12  -0.14    -0.03  -0.03  -0.03
    11   1    -0.01  -0.25   0.01     0.31   0.27   0.05     0.02  -0.01  -0.01
    12   1     0.00  -0.17   0.17    -0.10   0.21  -0.27     0.03  -0.02  -0.02
    13   1     0.03  -0.03   0.28     0.11  -0.13  -0.17    -0.06   0.01  -0.01
    14   1     0.20  -0.03  -0.20    -0.03   0.20   0.23    -0.07  -0.26  -0.30
    15   1     0.05   0.14  -0.24    -0.03  -0.09   0.20     0.43   0.47  -0.02
    16   1     0.07   0.07  -0.18    -0.02   0.12  -0.01    -0.22   0.08   0.55
    17   1    -0.25   0.02   0.13    -0.03  -0.24  -0.31    -0.01   0.04   0.07
    18   1    -0.20   0.09  -0.02    -0.08  -0.00  -0.20     0.06  -0.10  -0.10
    19   1    -0.24   0.14  -0.05     0.10  -0.25  -0.02    -0.17  -0.04  -0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --    218.4362               250.2513               278.6421
 Red. masses --      2.8721                 1.2778                 2.6334
 Frc consts  --      0.0807                 0.0472                 0.1205
 IR Inten    --      1.3322                 1.3949                13.9168
 RamAct Fr= 1--      0.2284                 0.3074                 0.4290
  Dep-P Fr= 1--      0.7313                 0.7459                 0.6793
  Dep-U Fr= 1--      0.8448                 0.8545                 0.8090
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0005
 Beta2  Fr= 1--      0.0322                 0.0438                 0.0579
 AlphaG Fr= 1--     -0.0010                 0.0004                 0.0001
 Gamma2 Fr= 1--     -0.1694                 0.0255                 0.0302
 Delta2 Fr= 1--      0.0533                 0.0648                -0.1827
 Raman1 Fr= 1--       0.914                  1.229                  1.716
 ROA1   Fr= 1--     -14.552                  4.527                 -2.949
 CID1   Fr= 1--     -15.927                  3.682                 -1.718
 Raman2 Fr= 1--       0.386                  0.525                  0.694
 ROA2   Fr= 1--      -4.492                  0.094                  2.186
 CID2   Fr= 1--     -11.638                  0.179                  3.149
 Raman3 Fr= 1--       0.772                  1.051                  1.388
 ROA3   Fr= 1--     -14.552                  4.527                 -2.949
 CID3   Fr= 1--     -18.852                  4.309                 -2.124
 RC180  Fr= 1--       0.690                  0.709                  0.618
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.07  -0.14   0.10     0.01  -0.03   0.02    -0.02   0.05  -0.04
     2   6    -0.02  -0.03  -0.03     0.01   0.01  -0.02    -0.07  -0.00   0.03
     3   8    -0.02  -0.08  -0.01    -0.01  -0.03   0.03    -0.07   0.11   0.01
     4   6     0.00   0.06  -0.05     0.00   0.02  -0.03    -0.04  -0.02   0.02
     5   6     0.01   0.04  -0.06     0.01   0.00  -0.02    -0.04   0.00  -0.03
     6   6     0.00   0.04  -0.05     0.01  -0.04  -0.00    -0.04  -0.02  -0.02
     7   8    -0.01   0.15   0.11    -0.08   0.06   0.02     0.25  -0.02   0.04
     8   1     0.00  -0.05  -0.03     0.01  -0.02  -0.03    -0.11  -0.04   0.02
     9   6    -0.07  -0.08  -0.05     0.02   0.02  -0.00    -0.10  -0.08  -0.03
    10   6     0.18   0.05  -0.01     0.04   0.00  -0.02     0.05   0.01   0.01
    11   1     0.16   0.10  -0.02     0.01  -0.08  -0.03    -0.08  -0.06  -0.04
    12   1    -0.11   0.10  -0.15     0.01  -0.05   0.04    -0.00  -0.04   0.04
    13   1    -0.04   0.17   0.21    -0.12   0.13   0.07     0.39  -0.30   0.01
    14   1    -0.20  -0.21  -0.23     0.01  -0.03  -0.06    -0.22  -0.28  -0.26
    15   1     0.02   0.08  -0.11     0.11   0.09  -0.01     0.05   0.15  -0.10
    16   1    -0.09  -0.18   0.17    -0.03   0.03   0.09    -0.16  -0.18   0.27
    17   1     0.33   0.33   0.14    -0.09  -0.35  -0.41     0.03  -0.13  -0.21
    18   1     0.41  -0.23  -0.01    -0.33   0.35   0.18    -0.12   0.14   0.17
    19   1    -0.06   0.04  -0.10     0.55   0.01   0.17     0.34   0.02   0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    310.0365               349.9609               367.2846
 Red. masses --      2.2932                 2.3697                 2.3850
 Frc consts  --      0.1299                 0.1710                 0.1896
 IR Inten    --      3.0351                 4.1394                 1.1630
 RamAct Fr= 1--      1.2707                 1.3103                 0.6577
  Dep-P Fr= 1--      0.6396                 0.2862                 0.5747
  Dep-U Fr= 1--      0.7802                 0.4451                 0.7299
 Alpha2 Fr= 1--      0.0025                 0.0140                 0.0022
 Beta2  Fr= 1--      0.1652                 0.0972                 0.0800
 AlphaG Fr= 1--      0.0093                -0.0028                -0.0096
 Gamma2 Fr= 1--      0.2522                 0.2322                -0.1413
 Delta2 Fr= 1--      0.0861                 0.1904                -0.0422
 Raman1 Fr= 1--       5.083                  5.241                  2.631
 ROA1   Fr= 1--      26.964                 28.383                -14.914
 CID1   Fr= 1--       5.305                  5.416                 -5.669
 Raman2 Fr= 1--       1.983                  1.166                  0.960
 ROA2   Fr= 1--       5.363                  4.050                 -3.053
 CID2   Fr= 1--       2.705                  3.472                 -3.180
 Raman3 Fr= 1--       3.966                  2.333                  1.920
 ROA3   Fr= 1--      26.964                 28.383                -14.914
 CID3   Fr= 1--       6.799                 12.168                 -7.767
 RC180  Fr= 1--       0.560                 -0.110                  0.460
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.03   0.02     0.06  -0.02   0.00     0.05  -0.06  -0.04
     2   6     0.06  -0.01   0.02     0.05   0.02  -0.03    -0.01  -0.05  -0.01
     3   8     0.09  -0.07  -0.07     0.04  -0.03   0.02    -0.04   0.08   0.04
     4   6     0.04   0.01   0.07     0.04   0.04  -0.07    -0.03  -0.10  -0.03
     5   6     0.01   0.02   0.07     0.02   0.02  -0.06    -0.01  -0.06  -0.07
     6   6     0.03   0.17   0.00     0.04  -0.08  -0.00     0.06   0.06  -0.14
     7   8    -0.04  -0.04  -0.02     0.07   0.08  -0.01    -0.03  -0.10   0.02
     8   1     0.07   0.06   0.06     0.02   0.00  -0.06    -0.06  -0.15  -0.02
     9   6    -0.06  -0.14  -0.07    -0.12  -0.08   0.16    -0.00   0.01   0.06
    10   6    -0.11   0.03   0.04    -0.15   0.06  -0.07     0.01   0.15   0.10
    11   1     0.12   0.38   0.13     0.02  -0.19  -0.08     0.19   0.26  -0.02
    12   1    -0.03   0.24  -0.23     0.07  -0.11   0.11     0.04   0.11  -0.38
    13   1    -0.04   0.02  -0.11    -0.04   0.20   0.27    -0.14   0.04   0.25
    14   1    -0.17  -0.32  -0.29    -0.39   0.05   0.20    -0.03   0.12   0.15
    15   1    -0.09   0.06  -0.21    -0.05  -0.26   0.30     0.07  -0.10   0.16
    16   1     0.01  -0.33   0.13    -0.10  -0.16   0.24    -0.05   0.09   0.02
    17   1    -0.22  -0.14   0.00    -0.25  -0.03   0.06    -0.02   0.16   0.21
    18   1    -0.25   0.20   0.05    -0.17   0.14  -0.19    -0.08   0.13   0.36
    19   1     0.02   0.08   0.06    -0.24   0.10  -0.14     0.13   0.42  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    377.1064               469.7915               543.6895
 Red. masses --      1.2292                 3.9103                 3.6256
 Frc consts  --      0.1030                 0.5085                 0.6314
 IR Inten    --    121.7275                 1.3797                 4.7780
 RamAct Fr= 1--      1.0027                 1.6009                 1.0818
  Dep-P Fr= 1--      0.7331                 0.5705                 0.2291
  Dep-U Fr= 1--      0.8460                 0.7265                 0.3728
 Alpha2 Fr= 1--      0.0003                 0.0054                 0.0136
 Beta2  Fr= 1--      0.1414                 0.1939                 0.0672
 AlphaG Fr= 1--      0.0010                -0.0082                -0.0139
 Gamma2 Fr= 1--      0.0630                 0.0341                -0.5362
 Delta2 Fr= 1--      0.0731                 0.1950                -0.2722
 Raman1 Fr= 1--       4.011                  6.404                  4.327
 ROA1   Fr= 1--       8.388                  9.518                -60.182
 CID1   Fr= 1--       2.091                  1.486                -13.908
 Raman2 Fr= 1--       1.697                  2.326                  0.807
 ROA2   Fr= 1--       0.927                 -0.741                -10.691
 CID2   Fr= 1--       0.546                 -0.318                -13.255
 Raman3 Fr= 1--       3.393                  4.653                  1.613
 ROA3   Fr= 1--       8.388                  9.518                -60.182
 CID3   Fr= 1--       2.472                  2.046                -37.309
 RC180  Fr= 1--       0.692                  0.453                 -0.254
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.02   0.01    -0.04  -0.10  -0.06     0.00  -0.11  -0.09
     2   6    -0.00   0.00   0.02    -0.05   0.03  -0.15     0.04  -0.08  -0.09
     3   8     0.01   0.01  -0.03    -0.15   0.08   0.10    -0.04   0.13   0.12
     4   6    -0.01  -0.00   0.02     0.08   0.05  -0.10     0.15  -0.07   0.03
     5   6    -0.01   0.01   0.02     0.07  -0.09   0.12     0.07   0.18   0.07
     6   6    -0.02   0.01   0.02    -0.04   0.06  -0.01    -0.08   0.04   0.08
     7   8     0.05  -0.06  -0.06     0.08   0.14  -0.03    -0.07  -0.13   0.03
     8   1    -0.03   0.04   0.01     0.27   0.01  -0.10     0.40  -0.14   0.04
     9   6     0.00   0.01  -0.03     0.17  -0.10   0.02    -0.05   0.01  -0.01
    10   6     0.02  -0.03  -0.00    -0.11  -0.12   0.10     0.05   0.09  -0.12
    11   1    -0.04  -0.01   0.02    -0.01   0.31   0.15    -0.12  -0.09   0.01
    12   1    -0.02   0.01   0.04    -0.13   0.14  -0.25    -0.23   0.07   0.30
    13   1    -0.36   0.46   0.78     0.04   0.14   0.16    -0.14   0.06  -0.09
    14   1     0.03  -0.02  -0.05     0.31  -0.17  -0.01    -0.24  -0.04  -0.11
    15   1    -0.03   0.05  -0.06     0.12   0.00  -0.07    -0.23  -0.01  -0.09
    16   1     0.01   0.00  -0.04     0.18  -0.07  -0.03     0.14  -0.27   0.05
    17   1     0.04  -0.02  -0.05    -0.23  -0.24   0.21     0.05   0.06  -0.20
    18   1     0.03  -0.04  -0.01    -0.14   0.00  -0.07     0.10   0.12  -0.31
    19   1     0.03  -0.08   0.03    -0.21  -0.11   0.06    -0.02  -0.10  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    579.6519               688.2170               751.1844
 Red. masses --      4.0426                 7.8432                 7.2719
 Frc consts  --      0.8003                 2.1887                 2.4177
 IR Inten    --      3.9117                 7.7938                 9.0921
 RamAct Fr= 1--      8.6252                 3.1385                 4.5558
  Dep-P Fr= 1--      0.0683                 0.7479                 0.0644
  Dep-U Fr= 1--      0.1278                 0.8557                 0.1210
 Alpha2 Fr= 1--      0.1631                 0.0001                 0.0870
 Beta2  Fr= 1--      0.1837                 0.4476                 0.0919
 AlphaG Fr= 1--     -0.0345                -0.0025                -0.0016
 Gamma2 Fr= 1--     -0.0773                 0.5182                 1.1581
 Delta2 Fr= 1--     -0.0590                 0.0484                 0.3539
 Raman1 Fr= 1--      34.501                 12.554                 18.223
 ROA1   Fr= 1--      -9.313                 51.294                122.500
 CID1   Fr= 1--      -0.270                  4.086                  6.722
 Raman2 Fr= 1--       2.205                  5.372                  1.102
 ROA2   Fr= 1--      -1.384                 12.049                 24.963
 CID2   Fr= 1--      -0.628                  2.243                 22.648
 Raman3 Fr= 1--       4.410                 10.743                  2.204
 ROA3   Fr= 1--      -9.313                 51.294                122.500
 CID3   Fr= 1--      -2.112                  4.775                 55.570
 RC180  Fr= 1--      -0.744                  0.711                 -0.758
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.11   0.07   0.04     0.28  -0.13  -0.15     0.00   0.08   0.20
     2   6    -0.14   0.01   0.10    -0.23  -0.18   0.05    -0.08   0.41  -0.37
     3   8    -0.10  -0.02  -0.09    -0.24  -0.06  -0.19    -0.19  -0.15  -0.02
     4   6    -0.02   0.04   0.11    -0.13   0.13   0.14     0.08  -0.06   0.00
     5   6     0.19   0.01  -0.05     0.03   0.15   0.14    -0.01   0.01   0.02
     6   6     0.00  -0.02  -0.04     0.34  -0.02   0.09     0.19  -0.00   0.05
     7   8    -0.03  -0.06  -0.00    -0.01   0.06  -0.04     0.04  -0.20   0.05
     8   1    -0.16   0.09   0.10     0.03   0.25   0.11     0.44  -0.30   0.05
     9   6     0.25  -0.16   0.08    -0.07   0.08   0.01    -0.05   0.04  -0.01
    10   6     0.04   0.13  -0.14    -0.00  -0.00   0.05    -0.00   0.01  -0.01
    11   1    -0.06  -0.15  -0.12     0.33   0.01   0.11     0.22  -0.04   0.01
    12   1    -0.07  -0.02   0.14     0.20   0.05   0.10     0.31  -0.05   0.02
    13   1    -0.06   0.02  -0.02    -0.02   0.05   0.04    -0.00  -0.13   0.05
    14   1     0.06  -0.12   0.07    -0.10   0.05  -0.03    -0.11   0.04  -0.03
    15   1     0.25  -0.26   0.14    -0.15   0.10  -0.04    -0.09   0.02  -0.02
    16   1     0.30  -0.28   0.15     0.00  -0.02   0.02    -0.01  -0.02   0.01
    17   1    -0.11   0.01   0.05    -0.01  -0.08  -0.09     0.04   0.05  -0.04
    18   1    -0.04   0.27  -0.22     0.04   0.06  -0.18     0.01  -0.02   0.02
    19   1    -0.03   0.26  -0.24    -0.06  -0.26   0.18     0.02  -0.01   0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    823.7417               896.1400               921.0452
 Red. masses --      3.1326                 4.6541                 2.3121
 Frc consts  --      1.2524                 2.2021                 1.1556
 IR Inten    --      5.7539                11.0102                14.4445
 RamAct Fr= 1--     12.4958                 5.0043                 3.1265
  Dep-P Fr= 1--      0.0421                 0.1492                 0.5310
  Dep-U Fr= 1--      0.0808                 0.2597                 0.6937
 Alpha2 Fr= 1--      0.2515                 0.0775                 0.0132
 Beta2  Fr= 1--      0.1684                 0.2166                 0.3615
 AlphaG Fr= 1--      0.1708                 0.0394                -0.0065
 Gamma2 Fr= 1--      0.0421                -1.1675                 0.0556
 Delta2 Fr= 1--     -0.0578                -0.5574                -0.5212
 Raman1 Fr= 1--      49.983                 20.017                 12.506
 ROA1   Fr= 1--       2.197               -129.919                -11.340
 CID1   Fr= 1--       0.044                 -6.490                 -0.907
 Raman2 Fr= 1--       2.020                  2.600                  4.338
 ROA2   Fr= 1--       1.474                -23.561                  5.503
 CID2   Fr= 1--       0.729                 -9.063                  1.269
 Raman3 Fr= 1--       4.041                  5.199                  8.675
 ROA3   Fr= 1--       2.197               -129.919                -11.340
 CID3   Fr= 1--       0.544                -24.989                 -1.307
 RC180  Fr= 1--      -0.838                 -0.481                  0.387
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.07  -0.01  -0.02    -0.02   0.19   0.09     0.00  -0.04  -0.05
     2   6     0.04   0.01  -0.07    -0.12  -0.21   0.13     0.00   0.03  -0.03
     3   8     0.02  -0.03   0.00    -0.10   0.03  -0.07    -0.01   0.00   0.01
     4   6    -0.19  -0.05  -0.14     0.26  -0.14  -0.20     0.09   0.08   0.20
     5   6    -0.06  -0.04   0.02    -0.01  -0.07  -0.04    -0.07  -0.12   0.00
     6   6    -0.02   0.08   0.27     0.05   0.02   0.16    -0.02  -0.06   0.05
     7   8     0.01  -0.00   0.01    -0.02   0.06   0.01     0.02   0.02  -0.03
     8   1    -0.34  -0.09  -0.13     0.49  -0.24  -0.20     0.26   0.16   0.19
     9   6     0.07  -0.07   0.02    -0.05   0.00  -0.04    -0.05  -0.06  -0.02
    10   6     0.02   0.11  -0.11     0.00  -0.00  -0.03    -0.00   0.05  -0.13
    11   1    -0.06   0.32   0.43     0.06   0.19   0.26    -0.04   0.18   0.20
    12   1    -0.06   0.14   0.04     0.27  -0.03  -0.09    -0.02  -0.02  -0.22
    13   1     0.10  -0.28   0.20    -0.08   0.23  -0.11    -0.05   0.24  -0.16
    14   1     0.18  -0.05   0.09    -0.06   0.09   0.04     0.22  -0.00   0.12
    15   1     0.20  -0.07   0.08     0.11  -0.05   0.07     0.23   0.01   0.07
    16   1    -0.04   0.07   0.01    -0.17   0.13  -0.01    -0.33   0.32  -0.08
    17   1     0.08   0.14  -0.23     0.00   0.01   0.02     0.10   0.20  -0.11
    18   1     0.07   0.08  -0.16    -0.00  -0.03   0.04    -0.01  -0.08   0.18
    19   1     0.04   0.02  -0.06     0.04   0.08  -0.07     0.15   0.23  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    946.4418               967.7559               993.1853
 Red. masses --      1.8478                 1.3905                 1.5088
 Frc consts  --      0.9752                 0.7673                 0.8769
 IR Inten    --      5.9654                 1.8178                 8.6242
 RamAct Fr= 1--      3.5589                 2.0089                 1.0498
  Dep-P Fr= 1--      0.7381                 0.7484                 0.3372
  Dep-U Fr= 1--      0.8493                 0.8561                 0.5044
 Alpha2 Fr= 1--      0.0007                 0.0001                 0.0096
 Beta2  Fr= 1--      0.5038                 0.2866                 0.0883
 AlphaG Fr= 1--      0.0052                 0.0004                -0.0052
 Gamma2 Fr= 1--      0.1428                 0.1326                -0.1565
 Delta2 Fr= 1--      0.9060                 0.1019                -0.1014
 Raman1 Fr= 1--      14.236                  8.036                  4.199
 ROA1   Fr= 1--      42.699                 15.990                -18.273
 CID1   Fr= 1--       2.999                  1.990                 -4.351
 Raman2 Fr= 1--       6.045                  3.440                  1.059
 ROA2   Fr= 1--      -3.822                  2.367                 -2.946
 CID2   Fr= 1--      -0.632                  0.688                 -2.782
 Raman3 Fr= 1--      12.091                  6.880                  2.118
 ROA3   Fr= 1--      42.699                 15.990                -18.273
 CID3   Fr= 1--       3.532                  2.324                 -8.627
 RC180  Fr= 1--       0.699                  0.712                  0.009
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.03  -0.02    -0.00  -0.00   0.00     0.04  -0.00   0.03
     2   6     0.01   0.00  -0.03    -0.00   0.01   0.00    -0.00  -0.04  -0.02
     3   8    -0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01
     4   6    -0.01   0.03   0.04    -0.01   0.01  -0.02    -0.01  -0.05   0.00
     5   6     0.07   0.00  -0.12     0.07  -0.05   0.02    -0.08   0.02   0.02
     6   6     0.02   0.12   0.10    -0.00   0.02   0.01     0.01   0.11  -0.03
     7   8     0.00  -0.01  -0.00    -0.00  -0.02   0.01     0.00   0.04  -0.02
     8   1    -0.07   0.02   0.04    -0.07   0.01  -0.02     0.15  -0.04  -0.00
     9   6    -0.00   0.01  -0.10    -0.11   0.01   0.02     0.02  -0.04   0.09
    10   6    -0.01  -0.12   0.04     0.12  -0.02  -0.02    -0.04  -0.03  -0.07
    11   1    -0.04  -0.14  -0.05    -0.03  -0.03  -0.01     0.01  -0.30  -0.28
    12   1    -0.18   0.16   0.45    -0.03   0.02   0.08     0.03   0.03   0.42
    13   1    -0.01   0.02  -0.03     0.00  -0.04   0.02     0.02  -0.03   0.04
    14   1    -0.30   0.24   0.04     0.26  -0.10   0.02     0.33  -0.23  -0.00
    15   1     0.33  -0.24   0.21    -0.13   0.25  -0.14    -0.17   0.18  -0.14
    16   1    -0.17   0.09   0.11    -0.16   0.20  -0.18     0.10  -0.03  -0.10
    17   1    -0.06  -0.09   0.25    -0.25  -0.33   0.40     0.09   0.18   0.02
    18   1    -0.11  -0.11   0.27    -0.10   0.34  -0.24    -0.08  -0.17   0.34
    19   1     0.06   0.19  -0.11    -0.13   0.25  -0.27     0.16   0.26  -0.16
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1033.8928              1038.1729              1087.4922
 Red. masses --      1.7100                 7.3739                 3.7495
 Frc consts  --      1.0770                 4.6826                 2.6126
 IR Inten    --     24.7673                91.4600                80.3640
 RamAct Fr= 1--      2.1915                 1.1870                 1.9193
  Dep-P Fr= 1--      0.6447                 0.7500                 0.4993
  Dep-U Fr= 1--      0.7840                 0.8571                 0.6661
 Alpha2 Fr= 1--      0.0042                 0.0000                 0.0095
 Beta2  Fr= 1--      0.2864                 0.1696                 0.2131
 AlphaG Fr= 1--     -0.0062                -0.0001                 0.0228
 Gamma2 Fr= 1--     -0.8530                 0.2700                 0.3341
 Delta2 Fr= 1--     -0.2208                -0.1791                 0.5761
 Raman1 Fr= 1--       8.766                  4.748                  7.677
 ROA1   Fr= 1--     -88.960                 20.191                 50.513
 CID1   Fr= 1--     -10.148                  4.253                  6.580
 Raman2 Fr= 1--       3.436                  2.035                  2.557
 ROA2   Fr= 1--     -18.706                  7.913                  3.410
 CID2   Fr= 1--      -5.444                  3.889                  1.334
 Raman3 Fr= 1--       6.873                  4.070                  5.114
 ROA3   Fr= 1--     -88.960                 20.191                 50.513
 CID3   Fr= 1--     -12.944                  4.961                  9.878
 RC180  Fr= 1--       0.568                  0.714                  0.332
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.07  -0.00   0.01     0.41  -0.00   0.13    -0.07  -0.03  -0.08
     2   6    -0.02   0.04   0.01    -0.10   0.05   0.07    -0.00   0.01   0.07
     3   8    -0.02  -0.02  -0.01    -0.07  -0.05  -0.08     0.02   0.01   0.00
     4   6    -0.00  -0.07   0.05     0.11   0.16  -0.10     0.04   0.29  -0.20
     5   6     0.05  -0.04  -0.00    -0.03   0.03  -0.05    -0.01   0.01  -0.01
     6   6    -0.09  -0.05   0.04    -0.42   0.07  -0.11     0.08  -0.05   0.06
     7   8     0.00   0.05  -0.04     0.00  -0.13   0.09     0.00  -0.18   0.14
     8   1    -0.11  -0.03   0.04     0.04   0.09  -0.07    -0.09   0.30  -0.18
     9   6     0.02   0.12   0.01     0.02  -0.09  -0.03     0.02   0.03   0.07
    10   6     0.01  -0.06  -0.06    -0.01  -0.00   0.06    -0.06  -0.08  -0.07
    11   1    -0.03   0.20   0.20    -0.15  -0.01  -0.15     0.05   0.10   0.15
    12   1    -0.08  -0.01  -0.22    -0.36   0.04   0.00    -0.01   0.02  -0.15
    13   1     0.03  -0.02   0.03    -0.10   0.18  -0.14    -0.07   0.05  -0.08
    14   1    -0.34   0.03  -0.18     0.14   0.01   0.10     0.04  -0.13  -0.08
    15   1    -0.34  -0.00  -0.08     0.28  -0.08   0.08    -0.27   0.13  -0.12
    16   1     0.34  -0.34   0.10    -0.18   0.17  -0.03     0.20  -0.12  -0.05
    17   1    -0.01   0.03   0.18    -0.02  -0.06  -0.05     0.07   0.16   0.07
    18   1    -0.09  -0.07   0.23     0.02   0.03  -0.11    -0.11  -0.25   0.40
    19   1     0.11   0.31  -0.24    -0.09  -0.16   0.12     0.17   0.24  -0.16
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1165.1679              1193.1153              1211.5288
 Red. masses --      1.8237                 2.0792                 1.4269
 Frc consts  --      1.4587                 1.7438                 1.2340
 IR Inten    --     79.2410                65.0355                 5.0833
 RamAct Fr= 1--      4.5507                 3.6766                 2.4713
  Dep-P Fr= 1--      0.6596                 0.7243                 0.6641
  Dep-U Fr= 1--      0.7949                 0.8401                 0.7981
 Alpha2 Fr= 1--      0.0073                 0.0016                 0.0038
 Beta2  Fr= 1--      0.6029                 0.5148                 0.3287
 AlphaG Fr= 1--     -0.0144                -0.0162                -0.0076
 Gamma2 Fr= 1--     -0.6100                -1.5846                 1.4929
 Delta2 Fr= 1--      0.2616                -1.3147                 1.1572
 Raman1 Fr= 1--      18.203                 14.706                  9.885
 ROA1   Fr= 1--     -50.192               -194.196                180.352
 CID1   Fr= 1--      -2.757                -13.205                 18.245
 Raman2 Fr= 1--       7.234                  6.177                  3.945
 ROA2   Fr= 1--     -16.734                -27.513                 26.573
 CID2   Fr= 1--      -2.313                 -4.454                  6.736
 Raman3 Fr= 1--      14.469                 12.355                  7.890
 ROA3   Fr= 1--     -50.192               -194.196                180.352
 CID3   Fr= 1--      -3.469                -15.719                 22.859
 RC180  Fr= 1--       0.590                  0.680                  0.596
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.05   0.06    -0.00  -0.05  -0.04    -0.00   0.05  -0.02
     2   6     0.02  -0.13  -0.09    -0.04   0.14   0.16    -0.00   0.02   0.01
     3   8     0.02   0.01   0.02     0.02  -0.02  -0.02     0.02  -0.00   0.00
     4   6    -0.08   0.09   0.00    -0.01  -0.04  -0.07    -0.03  -0.03   0.00
     5   6    -0.02   0.03   0.11     0.05  -0.10   0.10    -0.00   0.12  -0.03
     6   6    -0.04  -0.02  -0.04     0.04   0.01  -0.06    -0.01  -0.10   0.03
     7   8    -0.02  -0.02   0.00    -0.02   0.01  -0.01    -0.01   0.01  -0.02
     8   1     0.46   0.26  -0.03     0.58   0.07  -0.09     0.24  -0.10   0.01
     9   6     0.03   0.00  -0.07    -0.02   0.02  -0.04    -0.00  -0.05   0.01
    10   6     0.03  -0.03  -0.04    -0.02   0.04  -0.03    -0.00  -0.04   0.00
    11   1     0.02  -0.02  -0.05    -0.26   0.00  -0.05     0.61  -0.02   0.04
    12   1     0.29  -0.15  -0.14    -0.35   0.14   0.23    -0.60   0.19  -0.17
    13   1     0.10  -0.40   0.31     0.10  -0.36   0.28     0.03  -0.11   0.08
    14   1    -0.18   0.16   0.02    -0.13   0.10  -0.00     0.15  -0.04   0.07
    15   1     0.17  -0.17   0.11     0.03  -0.06   0.04     0.10   0.04   0.01
    16   1    -0.05  -0.01   0.13    -0.09   0.05   0.05    -0.06   0.07  -0.05
    17   1    -0.03  -0.02   0.15     0.05   0.09  -0.11    -0.01  -0.01   0.10
    18   1    -0.08   0.07   0.04     0.04  -0.04  -0.02    -0.05  -0.02   0.09
    19   1     0.03   0.18  -0.16     0.05   0.00   0.01     0.01   0.05  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1245.9290              1283.4839              1294.1981
 Red. masses --      2.1819                 2.1176                 1.6661
 Frc consts  --      1.9956                 2.0553                 1.6442
 IR Inten    --     32.7523                15.6401                 4.9932
 RamAct Fr= 1--      2.9469                 3.4970                 4.4834
  Dep-P Fr= 1--      0.5715                 0.6597                 0.7497
  Dep-U Fr= 1--      0.7273                 0.7950                 0.8570
 Alpha2 Fr= 1--      0.0099                 0.0056                 0.0000
 Beta2  Fr= 1--      0.3572                 0.4634                 0.6404
 AlphaG Fr= 1--     -0.0034                 0.0284                 0.0008
 Gamma2 Fr= 1--      0.6378                -0.4610                -1.1598
 Delta2 Fr= 1--      0.3007                -0.1858                -0.1345
 Raman1 Fr= 1--      11.788                 13.988                 17.934
 ROA1   Fr= 1--      70.852                -50.201               -115.639
 CID1   Fr= 1--       6.011                 -3.589                 -6.448
 Raman2 Fr= 1--       4.287                  5.560                  7.684
 ROA2   Fr= 1--      12.902                 -9.577                -26.758
 CID2   Fr= 1--       3.010                 -1.722                 -3.482
 Raman3 Fr= 1--       8.574                 11.120                 15.369
 ROA3   Fr= 1--      70.852                -50.201               -115.639
 CID3   Fr= 1--       8.264                 -4.514                 -7.524
 RC180  Fr= 1--       0.455                  0.590                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.04   0.04    -0.00  -0.03  -0.01    -0.00   0.03  -0.00
     2   6     0.02  -0.06  -0.07    -0.01   0.06   0.05     0.01  -0.02  -0.03
     3   8    -0.03   0.01   0.00     0.00  -0.01  -0.01    -0.01   0.00   0.00
     4   6     0.04   0.00   0.00    -0.01  -0.07  -0.05     0.03  -0.02  -0.03
     5   6     0.25  -0.03   0.04     0.03   0.19   0.17    -0.06  -0.11   0.17
     6   6    -0.02  -0.02  -0.02     0.01  -0.04  -0.05     0.01   0.01  -0.03
     7   8    -0.03   0.01  -0.01     0.02   0.00  -0.00     0.02  -0.00   0.03
     8   1    -0.45   0.23  -0.04    -0.35  -0.32  -0.01    -0.41   0.18  -0.07
     9   6    -0.09  -0.01   0.00    -0.01  -0.06  -0.06     0.02   0.03  -0.06
    10   6    -0.10   0.02  -0.02    -0.01  -0.06  -0.06     0.02   0.03  -0.03
    11   1     0.06   0.02   0.00    -0.33   0.13   0.07     0.49  -0.24  -0.21
    12   1    -0.12   0.03   0.01     0.23  -0.12  -0.12    -0.32   0.13   0.13
    13   1     0.08  -0.33   0.25    -0.06   0.23  -0.18    -0.07   0.27  -0.20
    14   1     0.08   0.01   0.06     0.07   0.16   0.18    -0.16   0.12  -0.02
    15   1    -0.03   0.19  -0.09     0.26  -0.03   0.06    -0.01  -0.17   0.06
    16   1    -0.19   0.20  -0.14    -0.20   0.11   0.06    -0.04  -0.04   0.18
    17   1     0.12   0.24  -0.19     0.05   0.13   0.18     0.02   0.04  -0.03
    18   1     0.08  -0.27   0.15    -0.13  -0.04   0.21    -0.01   0.08  -0.07
    19   1     0.20  -0.10   0.17     0.13   0.17  -0.13    -0.00   0.06  -0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1332.5114              1384.7115              1406.6120
 Red. masses --      1.6185                 1.3790                 1.3765
 Frc consts  --      1.6932                 1.5579                 1.6046
 IR Inten    --     22.0033                10.5004                11.7436
 RamAct Fr= 1--      2.7128                 0.7514                 1.6927
  Dep-P Fr= 1--      0.6750                 0.6953                 0.7360
  Dep-U Fr= 1--      0.8060                 0.8202                 0.8479
 Alpha2 Fr= 1--      0.0036                 0.0007                 0.0004
 Beta2  Fr= 1--      0.3644                 0.1027                 0.2392
 AlphaG Fr= 1--      0.0006                 0.0074                 0.0010
 Gamma2 Fr= 1--     -2.3007                -0.3370                 1.0398
 Delta2 Fr= 1--     -0.5817                -0.6884                 0.6467
 Raman1 Fr= 1--      10.851                  3.006                  6.771
 ROA1   Fr= 1--    -239.486                -54.379                120.516
 CID1   Fr= 1--     -22.070                -18.092                 17.800
 Raman2 Fr= 1--       4.373                  1.233                  2.871
 ROA2   Fr= 1--     -50.564                 -2.581                 19.783
 CID2   Fr= 1--     -11.563                 -2.094                  6.892
 Raman3 Fr= 1--       8.746                  2.465                  5.741
 ROA3   Fr= 1--    -239.486                -54.379                120.516
 CID3   Fr= 1--     -27.384                -22.057                 20.992
 RC180  Fr= 1--       0.612                  0.640                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00  -0.03  -0.03     0.02   0.04   0.05     0.01   0.01   0.02
     2   6    -0.01   0.06   0.03     0.02  -0.05  -0.06     0.00  -0.03  -0.01
     3   8    -0.02  -0.01  -0.01    -0.01   0.00   0.00    -0.01   0.00   0.00
     4   6     0.14  -0.09   0.01    -0.06  -0.06  -0.00     0.08   0.07   0.01
     5   6    -0.09   0.07  -0.03    -0.01   0.02  -0.03    -0.07  -0.01   0.01
     6   6     0.00   0.01   0.02     0.07  -0.06  -0.06     0.04  -0.02  -0.03
     7   8    -0.04   0.01   0.01     0.02  -0.00   0.03    -0.02   0.00  -0.03
     8   1    -0.31   0.75  -0.15     0.11   0.51  -0.12    -0.24  -0.37   0.10
     9   6     0.01  -0.02  -0.00     0.00  -0.00   0.01     0.01   0.01  -0.01
    10   6     0.03  -0.02   0.01     0.01   0.00  -0.01     0.05   0.06  -0.07
    11   1     0.04  -0.04  -0.01    -0.46   0.29   0.20    -0.18   0.10   0.06
    12   1     0.16  -0.05  -0.08    -0.41   0.13   0.20    -0.22   0.08   0.12
    13   1     0.08  -0.34   0.26    -0.06   0.26  -0.19     0.06  -0.26   0.19
    14   1     0.07  -0.02   0.02     0.02  -0.00   0.01     0.04  -0.03  -0.03
    15   1     0.08  -0.04   0.04    -0.01   0.03  -0.01    -0.01  -0.09   0.05
    16   1     0.01  -0.03   0.01     0.02  -0.02   0.00     0.02  -0.05   0.07
    17   1    -0.03  -0.06   0.08    -0.03  -0.02   0.07    -0.24  -0.20   0.27
    18   1    -0.05   0.07   0.01    -0.02  -0.00   0.06    -0.04  -0.09   0.40
    19   1    -0.07   0.00  -0.04    -0.01  -0.06   0.02    -0.16  -0.37   0.13
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1409.7829              1438.3100              1488.4390
 Red. masses --      1.3100                 1.2851                 1.0477
 Frc consts  --      1.5340                 1.5664                 1.3676
 IR Inten    --      2.9727                 6.2536                 1.8055
 RamAct Fr= 1--      0.5712                 0.8408                 3.8224
  Dep-P Fr= 1--      0.4340                 0.6161                 0.7334
  Dep-U Fr= 1--      0.6053                 0.7624                 0.8462
 Alpha2 Fr= 1--      0.0037                 0.0021                 0.0011
 Beta2  Fr= 1--      0.0576                 0.1068                 0.5391
 AlphaG Fr= 1--      0.0031                -0.0033                -0.0074
 Gamma2 Fr= 1--      0.4228                 0.3825                 0.6837
 Delta2 Fr= 1--      0.2608                 0.3261                 0.2804
 Raman1 Fr= 1--       2.285                  3.363                 15.290
 ROA1   Fr= 1--      48.933                 47.152                 74.606
 CID1   Fr= 1--      21.416                 14.020                  4.879
 Raman2 Fr= 1--       0.691                  1.282                  6.469
 ROA2   Fr= 1--       8.060                  6.570                 14.165
 CID2   Fr= 1--      11.656                  5.125                  2.190
 Raman3 Fr= 1--       1.383                  2.564                 12.938
 ROA3   Fr= 1--      48.933                 47.152                 74.606
 CID3   Fr= 1--      35.382                 18.388                  5.766
 RC180  Fr= 1--       0.211                  0.525                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.01  -0.01     0.01   0.01   0.02     0.00   0.00   0.00
     2   6    -0.00   0.02   0.01     0.00  -0.03  -0.02     0.00  -0.00  -0.00
     3   8     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.05  -0.03  -0.01     0.05   0.05   0.01    -0.00   0.00   0.00
     5   6     0.05  -0.01   0.00    -0.04  -0.00   0.00     0.00   0.01  -0.01
     6   6    -0.03   0.02   0.02     0.04  -0.02  -0.02     0.01   0.00   0.01
     7   8     0.01  -0.00   0.01    -0.02   0.00  -0.02    -0.00  -0.00  -0.00
     8   1     0.13   0.15  -0.05    -0.17  -0.21   0.07     0.01   0.00  -0.00
     9   6    -0.11   0.06  -0.03    -0.06   0.04  -0.02     0.01  -0.01  -0.04
    10   6    -0.00   0.04  -0.04    -0.01  -0.06   0.07    -0.01   0.03   0.02
    11   1     0.13  -0.08  -0.06    -0.22   0.07   0.05    -0.06  -0.05  -0.02
    12   1     0.14  -0.05  -0.07    -0.22   0.08   0.04    -0.02   0.02  -0.09
    13   1    -0.03   0.14  -0.10     0.04  -0.17   0.12     0.00  -0.01   0.01
    14   1     0.47  -0.11   0.01     0.32  -0.09  -0.02     0.27   0.22   0.28
    15   1     0.34  -0.13   0.28     0.21  -0.13   0.20    -0.29   0.02  -0.17
    16   1     0.26  -0.41   0.05     0.18  -0.28   0.06    -0.16  -0.11   0.49
    17   1    -0.14  -0.09   0.15     0.22   0.15  -0.27    -0.18  -0.32  -0.19
    18   1     0.05  -0.14   0.17    -0.03   0.16  -0.32     0.27  -0.30  -0.01
    19   1     0.04  -0.19   0.12     0.01   0.34  -0.17     0.02   0.21  -0.09
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1491.3312              1507.8031              1513.7035
 Red. masses --      1.0472                 1.0626                 1.0637
 Frc consts  --      1.3722                 1.4233                 1.4359
 IR Inten    --      2.8447                 7.5161                14.2884
 RamAct Fr= 1--      3.4171                 7.5738                 0.6588
  Dep-P Fr= 1--      0.6976                 0.7456                 0.7143
  Dep-U Fr= 1--      0.8219                 0.8543                 0.8333
 Alpha2 Fr= 1--      0.0031                 0.0006                 0.0004
 Beta2  Fr= 1--      0.4681                 1.0783                 0.0915
 AlphaG Fr= 1--      0.0074                -0.0009                 0.0017
 Gamma2 Fr= 1--      0.1809                -0.9999                 0.1366
 Delta2 Fr= 1--      0.0795                -0.8778                 0.2110
 Raman1 Fr= 1--      13.669                 30.295                  2.635
 ROA1   Fr= 1--      19.912               -124.081                 19.871
 CID1   Fr= 1--       1.457                 -4.096                  7.541
 Raman2 Fr= 1--       5.617                 12.940                  1.098
 ROA2   Fr= 1--       3.705                -16.976                  1.591
 CID2   Fr= 1--       0.660                 -1.312                  1.449
 Raman3 Fr= 1--      11.234                 25.880                  2.196
 ROA3   Fr= 1--      19.912               -124.081                 19.871
 CID3   Fr= 1--       1.773                 -4.795                  9.049
 RC180  Fr= 1--       0.644                  0.709                  0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00     0.01   0.00  -0.00     0.01   0.02   0.01
     5   6    -0.01   0.01  -0.01    -0.04   0.01   0.03    -0.03  -0.03  -0.03
     6   6     0.01   0.00   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.01
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   1     0.00  -0.00   0.00    -0.06  -0.02   0.01    -0.00  -0.03   0.02
     9   6     0.02   0.03  -0.00    -0.00  -0.01   0.02    -0.01  -0.03  -0.02
    10   6    -0.03  -0.01  -0.02    -0.02   0.03   0.00    -0.02  -0.01  -0.02
    11   1    -0.07  -0.04  -0.02    -0.09  -0.07  -0.04     0.07   0.07   0.04
    12   1    -0.02   0.02  -0.07    -0.07   0.04  -0.08     0.00  -0.02   0.12
    13   1     0.00  -0.01   0.01     0.00  -0.01   0.01     0.01  -0.03   0.03
    14   1     0.17  -0.25  -0.21    -0.27  -0.02  -0.08    -0.00   0.36   0.35
    15   1    -0.28  -0.39   0.11     0.28   0.14   0.05     0.07   0.37  -0.21
    16   1    -0.21   0.18   0.19     0.17   0.01  -0.36     0.13  -0.26   0.13
    17   1    -0.03   0.15   0.37    -0.26  -0.29   0.08     0.05   0.24   0.36
    18   1     0.07   0.02  -0.28     0.37  -0.33  -0.22    -0.06   0.16  -0.23
    19   1     0.45  -0.04   0.19     0.35   0.22   0.02     0.32  -0.14   0.19
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1520.9857              1844.7831              3032.7339
 Red. masses --      1.0873                12.5553                 1.0354
 Frc consts  --      1.4820                25.1749                 5.6107
 IR Inten    --      2.6033               401.2521                12.8896
 RamAct Fr= 1--      4.7817                24.3132                42.8282
  Dep-P Fr= 1--      0.6772                 0.2845                 0.0238
  Dep-U Fr= 1--      0.8076                 0.4430                 0.0466
 Alpha2 Fr= 1--      0.0061                 0.2611                 0.9000
 Beta2  Fr= 1--      0.6436                 1.7951                 0.3324
 AlphaG Fr= 1--     -0.0244                 0.2159                 0.0482
 Gamma2 Fr= 1--     -0.5157                 1.0150                 1.6989
 Delta2 Fr= 1--      0.0951                 1.0462                 1.2615
 Raman1 Fr= 1--      19.127                 97.253                171.313
 ROA1   Fr= 1--     -46.465                130.914                203.462
 CID1   Fr= 1--      -2.429                  1.346                  1.188
 Raman2 Fr= 1--       7.723                 21.541                  3.988
 ROA2   Fr= 1--     -13.138                 15.990                 30.681
 CID2   Fr= 1--      -1.701                  0.742                  7.693
 Raman3 Fr= 1--      15.446                 43.082                  7.976
 ROA3   Fr= 1--     -46.465                130.914                203.462
 CID3   Fr= 1--      -3.008                  3.039                 25.508
 RC180  Fr= 1--       0.615                 -0.114                 -0.907
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.01  -0.01    -0.03   0.02   0.01    -0.00  -0.00   0.00
     2   6    -0.01   0.01   0.01     0.79   0.02   0.23     0.00   0.00   0.00
     3   8     0.01  -0.00   0.00    -0.50  -0.03  -0.15    -0.00  -0.00  -0.00
     4   6     0.01   0.00  -0.00    -0.06   0.02  -0.01    -0.00   0.00   0.01
     5   6    -0.01   0.01   0.00    -0.02  -0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.04  -0.03  -0.06    -0.04  -0.01  -0.02    -0.00  -0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.01  -0.02   0.00     0.15  -0.09   0.04    -0.00  -0.02  -0.09
     9   6     0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.02   0.00  -0.00
    10   6    -0.01   0.00   0.01     0.00  -0.00  -0.00     0.01   0.03  -0.03
    11   1     0.38   0.50   0.26     0.09   0.03  -0.02     0.00  -0.01   0.01
    12   1     0.19  -0.21   0.60    -0.00  -0.06  -0.00     0.01   0.01   0.00
    13   1     0.00  -0.01   0.01     0.01  -0.06   0.01     0.00  -0.00  -0.00
    14   1     0.04  -0.07  -0.06    -0.00   0.01   0.00    -0.04  -0.09   0.09
    15   1    -0.02  -0.09   0.05     0.01  -0.00   0.01     0.07  -0.10  -0.16
    16   1    -0.02   0.03   0.01    -0.00  -0.00   0.01     0.18   0.15   0.09
    17   1    -0.06  -0.11  -0.04    -0.01   0.00   0.03     0.46  -0.32   0.14
    18   1     0.11  -0.11  -0.06    -0.00   0.01  -0.01    -0.38  -0.31  -0.17
    19   1     0.06   0.11  -0.03     0.02   0.01   0.00    -0.16   0.26   0.42
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3037.9689              3048.9822              3061.5810
 Red. masses --      1.0393                 1.0840                 1.0601
 Frc consts  --      5.6513                 5.9372                 5.8545
 IR Inten    --     21.1158                33.0752                27.6090
 RamAct Fr= 1--    212.7329               108.2780               191.8525
  Dep-P Fr= 1--      0.0243                 0.1183                 0.0538
  Dep-U Fr= 1--      0.0475                 0.2115                 0.1021
 Alpha2 Fr= 1--      4.4653                 1.8124                 3.7558
 Beta2  Fr= 1--      1.6847                 3.8175                 3.2631
 AlphaG Fr= 1--      0.4996                -0.0159                -0.8012
 Gamma2 Fr= 1--     -4.9324                 1.5508                -5.1661
 Delta2 Fr= 1--     -2.9026                 0.8605                 4.4283
 Raman1 Fr= 1--     850.931                433.112                767.410
 ROA1   Fr= 1--    -566.391                176.415               -354.241
 CID1   Fr= 1--      -0.666                  0.407                 -0.462
 Raman2 Fr= 1--      20.217                 45.809                 39.157
 ROA2   Fr= 1--     -95.156                 30.336               -159.412
 CID2   Fr= 1--      -4.707                  0.662                 -4.071
 Raman3 Fr= 1--      40.434                 91.619                 78.315
 ROA3   Fr= 1--    -566.391                176.415               -354.241
 CID3   Fr= 1--     -14.008                  1.926                 -4.523
 RC180  Fr= 1--      -0.905                 -0.577                 -0.796
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.01    -0.00  -0.02  -0.08     0.00   0.00   0.01
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00   0.00   0.01    -0.00  -0.00  -0.01    -0.02   0.00  -0.07
     7   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   1    -0.00   0.03   0.14     0.01   0.19   0.96    -0.00  -0.02  -0.08
     9   6    -0.05   0.01  -0.01     0.00  -0.00   0.00    -0.01   0.00   0.00
    10   6    -0.00  -0.01   0.01     0.00   0.01  -0.00     0.00  -0.00   0.00
    11   1    -0.00   0.04  -0.06     0.00  -0.04   0.06     0.04  -0.47   0.72
    12   1    -0.02  -0.04  -0.00     0.03   0.06   0.01     0.20   0.45   0.05
    13   1    -0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    14   1    -0.09  -0.24   0.25     0.01   0.03  -0.03    -0.00  -0.01   0.01
    15   1     0.18  -0.25  -0.42    -0.02   0.02   0.04     0.03  -0.03  -0.05
    16   1     0.48   0.41   0.24    -0.05  -0.04  -0.02     0.04   0.03   0.02
    17   1    -0.17   0.12  -0.05     0.07  -0.05   0.02    -0.04   0.03  -0.01
    18   1     0.12   0.10   0.05    -0.08  -0.07  -0.03     0.01   0.01   0.00
    19   1     0.06  -0.09  -0.14    -0.01   0.02   0.03     0.01  -0.01  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3092.8927              3096.7778              3102.7623
 Red. masses --      1.1008                 1.1017                 1.1023
 Frc consts  --      6.2040                 6.2251                 6.2523
 IR Inten    --     11.0639                22.5410                28.9349
 RamAct Fr= 1--     42.4131                54.7153                82.6010
  Dep-P Fr= 1--      0.7209                 0.6850                 0.7410
  Dep-U Fr= 1--      0.8378                 0.8131                 0.8513
 Alpha2 Fr= 1--      0.0213                 0.0625                 0.0126
 Beta2  Fr= 1--      5.9223                 7.4147                11.7191
 AlphaG Fr= 1--      0.0091                -0.0252                -0.0046
 Gamma2 Fr= 1--      7.1972                -0.3887                 2.0995
 Delta2 Fr= 1--      5.6119                -2.9229                 1.6243
 Raman1 Fr= 1--     169.652                218.861                330.404
 ROA1   Fr= 1--     870.510               -130.852                253.527
 CID1   Fr= 1--       5.131                 -0.598                  0.767
 Raman2 Fr= 1--      71.068                 88.976                140.629
 ROA2   Fr= 1--     127.838                 14.054                 37.393
 CID2   Fr= 1--       1.799                  0.158                  0.266
 Raman3 Fr= 1--     142.136                177.952                281.259
 ROA3   Fr= 1--     870.510               -130.852                253.527
 CID3   Fr= 1--       6.124                 -0.735                  0.901
 RC180  Fr= 1--       0.676                  0.626                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.01  -0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   1     0.00  -0.00  -0.02    -0.00   0.00   0.00     0.00   0.01   0.05
     9   6    -0.02  -0.06  -0.06     0.00   0.00   0.00    -0.00  -0.02  -0.01
    10   6    -0.00   0.02   0.02    -0.09   0.03  -0.00    -0.02  -0.06  -0.06
    11   1    -0.00  -0.00   0.00     0.00  -0.01   0.02     0.00  -0.04   0.07
    12   1     0.01   0.03   0.00     0.00   0.00   0.00    -0.04  -0.10  -0.01
    13   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1     0.02   0.06  -0.09    -0.00  -0.01   0.01     0.01   0.02  -0.03
    15   1    -0.27   0.34   0.58     0.02  -0.03  -0.05    -0.07   0.09   0.15
    16   1     0.45   0.37   0.21    -0.02  -0.02  -0.01     0.12   0.10   0.06
    17   1     0.05  -0.03   0.02     0.61  -0.44   0.20    -0.02   0.00  -0.02
    18   1    -0.11  -0.09  -0.04     0.34   0.30   0.15     0.49   0.39   0.19
    19   1     0.07  -0.10  -0.17     0.11  -0.20  -0.33    -0.22   0.34   0.56
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3117.7164              3129.9267              3780.5682
 Red. masses --      1.1076                 1.0995                 1.0663
 Frc consts  --      6.3432                 6.3464                 8.9794
 IR Inten    --     18.3509                15.3012                47.1106
 RamAct Fr= 1--     82.9036                62.9944               111.8669
  Dep-P Fr= 1--      0.5811                 0.6785                 0.2059
  Dep-U Fr= 1--      0.7350                 0.8084                 0.3414
 Alpha2 Fr= 1--      0.2625                 0.0795                 1.4956
 Beta2  Fr= 1--     10.1561                 8.4879                 6.3661
 AlphaG Fr= 1--      0.1008                -0.1053                 0.5993
 Gamma2 Fr= 1--      4.6641               -12.7071                 4.9373
 Delta2 Fr= 1--      3.4062                -7.3828                -0.6903
 Raman1 Fr= 1--     331.614                251.978                447.468
 ROA1   Fr= 1--     556.753              -1456.126                451.889
 CID1   Fr= 1--       1.679                 -5.779                  1.010
 Raman2 Fr= 1--     121.873                101.854                 76.394
 ROA2   Fr= 1--      84.689               -245.907                124.017
 CID2   Fr= 1--       0.695                 -2.414                  1.623
 Raman3 Fr= 1--     243.747                203.708                152.787
 ROA3   Fr= 1--     556.753              -1456.126                451.889
 CID3   Fr= 1--       2.284                 -7.148                  2.958
 RC180  Fr= 1--       0.470                  0.617                 -0.317
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.03  -0.09   0.02     0.00   0.01  -0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.06  -0.03  -0.01
     8   1     0.00  -0.00  -0.01     0.00   0.00   0.01     0.00   0.00  -0.00
     9   6     0.00   0.01  -0.01     0.04   0.05  -0.07     0.00   0.00  -0.00
    10   6    -0.00  -0.01  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.02   0.24  -0.40     0.00  -0.04   0.07    -0.00   0.00  -0.00
    12   1     0.34   0.78   0.12    -0.04  -0.09  -0.01     0.00   0.00  -0.00
    13   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.89   0.43   0.17
    14   1    -0.03  -0.08   0.08    -0.21  -0.62   0.64     0.00  -0.00   0.00
    15   1    -0.02   0.02   0.03    -0.11   0.17   0.25    -0.00   0.00   0.00
    16   1    -0.01  -0.01  -0.01    -0.15  -0.12  -0.09     0.00   0.00   0.00
    17   1    -0.01   0.00  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1     0.08   0.06   0.03    -0.01  -0.01  -0.00     0.00   0.00   0.00
    19   1    -0.03   0.04   0.07    -0.00  -0.00   0.00    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   130.06299 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   727.011211206.344911436.23905
           X            0.99953   0.02996  -0.00641
           Y           -0.03014   0.99909  -0.03012
           Z            0.00550   0.03030   0.99953
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11914     0.07180     0.06031
 Rotational constants (GHZ):           2.48241     1.49604     1.25657
 Zero-point vibrational energy     416296.8 (Joules/Mol)
                                   99.49733 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    114.85   264.02   301.63   314.28   360.06
          (Kelvin)            400.90   446.07   503.52   528.44   542.57
                              675.93   782.25   833.99   990.19  1080.79
                             1185.18  1289.35  1325.18  1361.72  1392.38
                             1428.97  1487.54  1493.70  1564.66  1676.42
                             1716.63  1743.12  1792.61  1846.65  1862.06
                             1917.19  1992.29  2023.80  2028.36  2069.41
                             2141.53  2145.69  2169.39  2177.88  2188.36
                             2654.23  4363.43  4370.96  4386.81  4404.93
                             4449.98  4455.57  4464.18  4485.70  4503.27
                             5439.39
 
 Zero-point correction=                           0.158559 (Hartree/Particle)
 Thermal correction to Energy=                    0.167578
 Thermal correction to Enthalpy=                  0.168522
 Thermal correction to Gibbs Free Energy=         0.125282
 Sum of electronic and zero-point Energies=           -460.395085
 Sum of electronic and thermal Energies=              -460.386067
 Sum of electronic and thermal Enthalpies=            -460.385123
 Sum of electronic and thermal Free Energies=         -460.428362
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  105.156             34.174             91.005
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.502
 Rotational               0.889              2.981             28.623
 Vibrational            103.379             28.212             21.880
 Vibration     1          0.600              1.963              3.895
 Vibration     2          0.631              1.862              2.292
 Vibration     3          0.642              1.826              2.047
 Vibration     4          0.646              1.813              1.972
 Vibration     5          0.663              1.762              1.729
 Vibration     6          0.679              1.713              1.542
 Vibration     7          0.699              1.655              1.362
 Vibration     8          0.727              1.575              1.166
 Vibration     9          0.740              1.540              1.091
 Vibration    10          0.748              1.519              1.051
 Vibration    11          0.827              1.317              0.738
 Vibration    12          0.899              1.154              0.557
 Vibration    13          0.936              1.075              0.486
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.236654D-57        -57.625885       -132.688505
 Total V=0       0.202381D+16         15.306170         35.243758
 Vib (Bot)       0.101033D-70        -70.995535       -163.473261
 Vib (Bot)    1  0.258005D+01          0.411627          0.947807
 Vib (Bot)    2  0.109320D+01          0.038701          0.089113
 Vib (Bot)    3  0.947532D+00         -0.023406         -0.053895
 Vib (Bot)    4  0.906135D+00         -0.042807         -0.098567
 Vib (Bot)    5  0.779809D+00         -0.108012         -0.248706
 Vib (Bot)    6  0.690488D+00         -0.160844         -0.370357
 Vib (Bot)    7  0.609891D+00         -0.214747         -0.494474
 Vib (Bot)    8  0.527213D+00         -0.278014         -0.640150
 Vib (Bot)    9  0.496605D+00         -0.303989         -0.699960
 Vib (Bot)   10  0.480422D+00         -0.318377         -0.733090
 Vib (Bot)   11  0.359103D+00         -0.444781         -1.024146
 Vib (Bot)   12  0.290389D+00         -0.537020         -1.236535
 Vib (Bot)   13  0.262977D+00         -0.580083         -1.335690
 Vib (V=0)       0.864012D+02          1.936520          4.459002
 Vib (V=0)    1  0.312805D+01          0.495273          1.140409
 Vib (V=0)    2  0.170212D+01          0.230991          0.531875
 Vib (V=0)    3  0.157136D+01          0.196276          0.451943
 Vib (V=0)    4  0.153493D+01          0.186089          0.428485
 Vib (V=0)    5  0.142634D+01          0.154222          0.355110
 Vib (V=0)    6  0.135251D+01          0.131141          0.301962
 Vib (V=0)    7  0.128865D+01          0.110135          0.253595
 Vib (V=0)    8  0.122660D+01          0.088704          0.204250
 Vib (V=0)    9  0.120471D+01          0.080883          0.186239
 Vib (V=0)   10  0.119340D+01          0.076787          0.176807
 Vib (V=0)   11  0.111559D+01          0.047506          0.109386
 Vib (V=0)   12  0.107821D+01          0.032703          0.075301
 Vib (V=0)   13  0.106494D+01          0.027325          0.062918
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.583021D+08          7.765685         17.881149
 Rotational      0.401759D+06          5.603965         12.903607
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                 333333333                                       1      1111111111111111 111                                   
     7                 111000000                                       8      5554444433222211 00099998  8 7 6   55  4333322221      
     8                 310996433                                       4      2109831083984196 83396429  2 5 8   84  7765175118   8  
     1                 083732983                                       5      1481880753436235 78438616  4 1 8   04  0770090804   0  
 
     X                 XXXXXXXXX                                       X      XXXXXXXXXXXXXXXX XXXXXXXX  X X X   XX  XXXXXXXXXX   X  
     X                       X                                         X                  X XX XX                     X              
                                                                       X                    XX XX                     X              
                                                                       X                     X XX                     X              
                                                                       X                        X                     X              
                                                                       X                                              X              
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000006397   -0.000008211   -0.000009308
      2        6           0.000012749    0.000009556    0.000007637
      3        8           0.000000733   -0.000001253    0.000001695
      4        6           0.000002007    0.000002439   -0.000002158
      5        6          -0.000007822   -0.000021516    0.000012119
      6        6          -0.000015533    0.000007155    0.000001297
      7        8          -0.000009814   -0.000002999   -0.000007863
      8        1          -0.000003633   -0.000000214   -0.000001295
      9        6          -0.000000410   -0.000005760    0.000000999
     10        6           0.000004665   -0.000002906    0.000007077
     11        1           0.000003889    0.000000172   -0.000002462
     12        1          -0.000000168   -0.000000853    0.000003972
     13        1           0.000000738   -0.000000030   -0.000000129
     14        1           0.000002706    0.000010061    0.000001354
     15        1          -0.000003097    0.000000945    0.000001028
     16        1           0.000000820   -0.000000660   -0.000000890
     17        1           0.000005043    0.000008163   -0.000010454
     18        1           0.000000758    0.000001185   -0.000001486
     19        1          -0.000000030    0.000004725   -0.000001134
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000021516 RMS     0.000006184
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.942655D+02  0.213513D+01  0.431355D+01
      2   0.213513D+01  0.800375D+02  0.119418D+01
      3   0.431355D+01  0.119418D+01  0.770759D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.390323D+01  0.103444D+02  0.477241D+01
      2   0.447734D+01  0.760477D+01 -0.273270D+02
      3  -0.108329D+02  0.291729D+02 -0.898732D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.345347D+02  0.414300D+01  0.155609D+02
      2   0.207019D+02  0.172393D+01 -0.258207D+02
      3   0.138328D+02 -0.586693D+01  0.102598D+02
      4  -0.878360D+01 -0.614659D+02  0.779954D+01
      5   0.272148D+02  0.970119D+01 -0.684310D+02
      6  -0.302023D+01 -0.455101D-02 -0.151701D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.402833D+01 -0.200431D+01 -0.113617D+01 -0.113138D+01  0.531534D+00
      2  -0.200431D+01  0.230317D+00  0.588044D+00  0.531534D+00 -0.393307D+01
      3  -0.113617D+01  0.588044D+00 -0.550276D+00  0.427214D-01 -0.126172D+01
                 6             7             8             9            10 
      1   0.427214D-01 -0.479157D+00 -0.414558D+00  0.279709D+00 -0.750964D+01
      2  -0.126172D+01 -0.414558D+00 -0.182103D+01 -0.151746D+01 -0.163325D+01
      3  -0.829222D+00  0.279709D+00 -0.151746D+01 -0.296708D+01 -0.366875D+01
                11            12            13            14            15 
      1  -0.163325D+01 -0.366875D+01 -0.155967D+01  0.724421D+00  0.105234D+01
      2  -0.117222D+01  0.851314D+00  0.724421D+00  0.186344D+00  0.415685D+00
      3   0.851314D+00 -0.207169D+00  0.105234D+01  0.415685D+00  0.597331D+00
                16            17            18            19            20 
      1  -0.243020D+01  0.101472D+01  0.203037D+00  0.176780D+02  0.506745D+00
      2   0.101472D+01  0.522131D+00  0.909732D+00  0.506745D+00  0.329767D+01
      3   0.203037D+00  0.909732D+00  0.163062D+01  0.417785D+01  0.191648D+00
                21            22            23            24            25 
      1   0.417785D+01  0.129893D+00  0.320907D+01 -0.410459D+00  0.294764D+01
      2   0.191648D+00  0.320907D+01  0.971669D+00  0.949385D+00 -0.185398D+00
      3   0.289041D+01 -0.410459D+00  0.949385D+00  0.451010D-01  0.413664D+01
                26            27            28            29            30 
      1  -0.185398D+00  0.413664D+01  0.139437D+01  0.350655D+01  0.141939D+01
      2   0.870331D+00  0.503865D-02  0.350655D+01 -0.198653D+00 -0.210101D+00
      3   0.503865D-02  0.280284D+01  0.141939D+01 -0.210101D+00  0.345379D+00
                31            32            33            34            35 
      1   0.268038D+01 -0.367365D+00  0.311237D+00  0.164582D+01 -0.275242D+00
      2  -0.367365D+00 -0.228966D+01  0.145975D+01 -0.275242D+00  0.274585D+01
      3   0.311237D+00  0.145975D+01 -0.549799D+00 -0.261600D-01 -0.214649D+01
                36            37            38            39            40 
      1  -0.261600D-01 -0.165246D+01 -0.365671D+01  0.116100D+01 -0.326975D+01
      2  -0.214649D+01 -0.365671D+01 -0.722056D+00 -0.291748D+01 -0.256401D+00
      3  -0.675791D+01  0.116100D+01 -0.291748D+01 -0.153926D+01 -0.277527D+01
                41            42            43            44            45 
      1  -0.256401D+00 -0.277527D+01  0.118044D+01 -0.313344D+01 -0.107210D+01
      2   0.253970D+00 -0.966821D+00 -0.313344D+01 -0.214694D+01  0.419287D+01
      3  -0.966821D+00  0.520211D+01 -0.107210D+01  0.419287D+01  0.770872D+00
                46            47            48            49            50 
      1  -0.199907D+01  0.145075D+01 -0.944286D+00  0.368177D+00  0.244903D+01
      2   0.145075D+01  0.270572D+01  0.808284D+00  0.244903D+01  0.288864D+01
      3  -0.944286D+00  0.808284D+00  0.291790D+01  0.107220D+01  0.179648D+01
                51            52            53            54            55 
      1   0.107220D+01 -0.138819D+01  0.123725D+01  0.168422D+01 -0.445179D+01
      2   0.179648D+01  0.123725D+01  0.590750D+00 -0.330596D+01 -0.230122D+01
      3  -0.495424D+01  0.168422D+01 -0.330596D+01  0.267643D+01 -0.990485D+00
                56            57            58            59            60 
      1  -0.230122D+01 -0.990485D+00 -0.101380D+01 -0.121821D+01 -0.221670D+00
      2  -0.348581D+01 -0.559822D-01 -0.121821D+01  0.421705D+01 -0.149245D+01
      3  -0.559822D-01 -0.873101D+00 -0.221670D+00 -0.149245D+01 -0.314990D+00
                61            62            63            64            65 
      1  -0.188814D+01 -0.374770D+00 -0.652502D-01 -0.188510D+00 -0.758670D-01
      2  -0.374770D+00 -0.327451D+01  0.181636D+01 -0.758670D-01 -0.370203D-02
      3  -0.652502D-01  0.181636D+01 -0.732330D+00  0.115162D+01  0.530415D-01
                66            67            68            69            70 
      1   0.115162D+01  0.245813D-01  0.120988D+00  0.472628D-01  0.127594D+01
      2   0.530415D-01  0.120988D+00  0.131632D+01  0.112656D+01  0.410582D+00
      3   0.308944D-01  0.472628D-01  0.112656D+01  0.103493D+01  0.184470D+00
                71            72            73            74            75 
      1   0.410582D+00  0.184470D+00  0.173442D+01  0.344305D+01 -0.116187D+00
      2   0.178249D+01  0.135211D+01  0.344305D+01  0.150540D-01  0.355493D+01
      3   0.135211D+01  0.869686D+01 -0.116187D+00  0.355493D+01  0.108745D+01
                76            77            78            79            80 
      1   0.422950D+01  0.978095D+00  0.354316D+01 -0.740136D-01  0.335888D+01
      2   0.978095D+00 -0.150734D+01  0.136851D+01  0.335888D+01  0.119514D+01
      3   0.354316D+01  0.136851D+01 -0.375938D+01  0.212007D+01 -0.405916D+01
                81            82            83            84            85 
      1   0.212007D+01  0.477182D+00  0.465801D+01 -0.991008D+00  0.422013D+01
      2  -0.405916D+01  0.465801D+01  0.922177D-01  0.321996D+01  0.440242D+00
      3  -0.124700D+00 -0.991008D+00  0.321996D+01  0.373722D+00  0.328786D+01
                86            87            88            89            90 
      1   0.440242D+00  0.328786D+01 -0.343831D+00  0.355616D+01  0.100716D+01
      2   0.151187D+01  0.333442D+00  0.355616D+01  0.169177D+01 -0.333129D+01
      3   0.333442D+00 -0.452509D+01  0.100716D+01 -0.333129D+01 -0.235027D+01
                91            92            93            94            95 
      1  -0.582330D-01  0.407369D+00 -0.118603D+01  0.119805D+01 -0.759745D+00
      2   0.407369D+00 -0.296657D+00  0.779463D-01 -0.759745D+00  0.887909D+00
      3  -0.118603D+01  0.779463D-01 -0.799225D+00  0.192399D+00 -0.187550D+01
                96            97            98            99           100 
      1   0.192399D+00 -0.168070D+01  0.948573D-01 -0.105094D+01 -0.195164D+01
      2  -0.187550D+01  0.948573D-01 -0.128800D+01  0.158463D+01 -0.210313D+01
      3   0.379915D+01 -0.105094D+01  0.158463D+01 -0.842784D+01 -0.662627D+00
               101           102           103           104           105 
      1  -0.210313D+01 -0.662627D+00 -0.226002D+01 -0.237533D+01 -0.853339D+00
      2  -0.253271D+01 -0.103738D+01 -0.237533D+01 -0.713514D+01 -0.249165D+01
      3  -0.103738D+01 -0.117342D+01 -0.853339D+00 -0.249165D+01 -0.165707D+01
               106           107           108           109           110 
      1  -0.196254D+00 -0.455001D+00 -0.934134D+00  0.502359D+01  0.370256D+01
      2  -0.455001D+00 -0.104841D+01 -0.104986D+01  0.370256D+01  0.496898D+01
      3  -0.934134D+00 -0.104986D+01 -0.171084D+01 -0.505274D-01 -0.199640D+00
               111           112           113           114           115 
      1  -0.505274D-01  0.273933D+01  0.238106D+01 -0.223107D-01  0.552972D+00
      2  -0.199640D+00  0.238106D+01  0.414240D+01 -0.636763D-01  0.442017D+00
      3   0.979787D+00 -0.223107D-01 -0.636763D-01  0.623256D+00  0.604979D+00
               116           117           118           119           120 
      1   0.442017D+00  0.604979D+00  0.582064D+00  0.247146D+00 -0.498316D+00
      2   0.683225D+00  0.794047D+00  0.247146D+00  0.547754D+00 -0.611465D+00
      3   0.794047D+00 -0.964112D-01 -0.498316D+00 -0.611465D+00  0.547247D+00
               121           122           123           124           125 
      1   0.958733D+00 -0.550894D+00 -0.333125D-01 -0.134477D+01  0.131829D+00
      2  -0.550894D+00  0.420361D+01 -0.251480D+01  0.131829D+00 -0.290750D+01
      3  -0.333125D-01 -0.251480D+01  0.281111D+01 -0.590087D+00  0.291633D+01
               126           127           128           129           130 
      1  -0.590087D+00 -0.304173D+01  0.121345D+01  0.138705D+01  0.145487D+01
      2   0.291633D+01  0.121345D+01 -0.125504D+01 -0.103885D+01 -0.180345D+01
      3  -0.384637D+01  0.138705D+01 -0.103885D+01 -0.138030D+01 -0.128459D+01
               131           132           133           134           135 
      1  -0.180345D+01 -0.128459D+01  0.315277D+01 -0.196740D+01 -0.220796D+01
      2   0.285755D+01  0.134852D+01 -0.196740D+01  0.230638D+01  0.214332D+01
      3   0.134852D+01  0.189352D+01 -0.220796D+01  0.214332D+01  0.373491D+01
               136           137           138           139           140 
      1  -0.712025D+01 -0.179103D+01 -0.186566D+01 -0.433621D+01 -0.185449D+01
      2  -0.179103D+01 -0.152593D+01 -0.822146D+00 -0.185449D+01 -0.185863D+01
      3  -0.186566D+01 -0.822146D+00 -0.157113D+01 -0.145331D+01 -0.828728D+00
               141           142           143           144           145 
      1  -0.145331D+01 -0.237066D+01 -0.849942D+00 -0.193891D+01  0.346532D+01
      2  -0.828728D+00 -0.849942D+00 -0.780535D+00 -0.208528D+00 -0.221940D+01
      3  -0.883506D+00 -0.193891D+01 -0.208528D+00 -0.144300D+01  0.104324D+01
               146           147           148           149           150 
      1  -0.221940D+01  0.104324D+01 -0.215247D+01  0.160203D+01 -0.967628D+00
      2   0.287464D+01 -0.173866D+01  0.160203D+01 -0.373591D+01  0.151256D+01
      3  -0.173866D+01  0.192469D+01 -0.967628D+00  0.151256D+01 -0.102456D+01
               151           152           153           154           155 
      1   0.873852D+00 -0.885273D+00  0.808510D+00 -0.487425D+01 -0.332839D+01
      2  -0.885273D+00  0.101312D+01 -0.893385D+00 -0.332839D+01 -0.302410D+01
      3   0.808510D+00 -0.893385D+00  0.172686D+01  0.966927D-01 -0.164649D+00
               156           157           158           159           160 
      1   0.966927D-01 -0.311277D+01 -0.272821D+01 -0.274358D+00 -0.132425D+01
      2  -0.164649D+00 -0.272821D+01 -0.417712D+01  0.608434D-01 -0.113356D+01
      3  -0.118949D+01 -0.274358D+00  0.608434D-01 -0.554888D+00 -0.779535D+00
               161           162           163           164           165 
      1  -0.113356D+01 -0.779535D+00 -0.153570D+01 -0.223187D-01  0.167320D+01
      2  -0.142757D+01 -0.316799D+00 -0.223187D-01 -0.515474D+00 -0.548817D+00
      3  -0.316799D+00 -0.392745D+00  0.167320D+01 -0.548817D+00 -0.181412D+01
               166           167           168           169           170 
      1   0.832433D+00 -0.522374D+00 -0.125294D+01  0.189072D+01 -0.571713D+00
      2  -0.522374D+00  0.119955D+01  0.112361D+01 -0.571713D+00  0.129331D+01
      3  -0.125294D+01  0.112361D+01  0.304623D+01 -0.236372D+01  0.111449D+01
               171 
      1  -0.236372D+01
      2   0.111449D+01
      3   0.681009D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.495677D+00 -0.429096D+00  0.757107D+00 -0.485678D+01  0.331245D+01
      2   0.728944D+01 -0.155528D+01  0.691437D+01 -0.497291D+01  0.118775D+00
      3  -0.688385D+01 -0.438940D+01  0.106855D+01  0.805791D+01  0.354146D+01
                 6             7             8             9            10 
      1  -0.391796D+01  0.268260D+01  0.165707D+00 -0.406542D+01 -0.271006D+01
      2  -0.596844D+00 -0.557112D+01 -0.378680D+01 -0.271656D+01 -0.491173D-01
      3   0.269583D+01  0.400799D+01 -0.119860D+01  0.161845D+01  0.546623D+01
                11            12            13            14            15 
      1  -0.322308D+01 -0.842434D+00  0.196824D+01 -0.109337D+02 -0.274887D+01
      2   0.304795D+01 -0.916379D+01  0.902704D+01 -0.151215D+01 -0.962805D+00
      3   0.108973D+02 -0.263134D+01  0.719933D+01 -0.577587D+01 -0.508669D+00
                16            17            18            19            20 
      1  -0.243619D+01  0.750966D+01  0.801974D+01  0.146875D+01  0.505351D+01
      2  -0.696681D+01  0.223762D+01 -0.347543D+01  0.272269D+01  0.207434D+01
      3  -0.833524D+01  0.546331D+01  0.211655D+00 -0.672510D+01 -0.189603D+02
                21            22            23            24            25 
      1   0.132966D+00 -0.417165D+00  0.341148D+01 -0.184687D+01  0.235410D+01
      2   0.169141D+02 -0.106748D+01  0.277896D+01  0.283307D+00  0.384274D+01
      3  -0.211025D+01 -0.361336D+01 -0.127213D+01 -0.123639D+01  0.145148D+01
                26            27            28            29            30 
      1   0.184843D+01 -0.104129D+01  0.250030D+01 -0.195585D+01  0.196894D+01
      2  -0.289379D-01  0.725907D+01  0.209100D+01 -0.440503D+01  0.720018D-01
      3  -0.468275D+01 -0.259231D+01 -0.120149D+01 -0.160667D+01  0.167170D+01
                31            32            33            34            35 
      1  -0.297154D+01  0.193452D+00  0.232887D+01  0.855528D+00  0.436936D+01
      2  -0.461036D+01  0.203592D+01 -0.203093D+01 -0.564460D+01  0.266566D+00
      3   0.410042D+01  0.746720D+01 -0.344462D+00  0.359821D+01 -0.141602D+01
                36            37            38            39            40 
      1   0.778722D+00 -0.321055D+00  0.290199D-01 -0.893999D+00  0.957418D+00
      2  -0.271019D+01 -0.110367D+01  0.586288D+01  0.731770D+01  0.540289D+01
      3   0.633523D-01 -0.560520D+01 -0.479925D+01 -0.465933D+01  0.427507D+01
                41            42            43            44            45 
      1   0.876926D+00 -0.281675D+01  0.191700D+00  0.527795D+01 -0.111601D+01
      2   0.885982D+00 -0.435437D+01 -0.270807D+01 -0.398150D+01 -0.226930D+01
      3  -0.117024D+01 -0.367429D+00 -0.338223D+01 -0.253704D+00  0.585894D+01
                46            47            48            49            50 
      1  -0.161233D+01 -0.349070D+01  0.524011D+00 -0.384400D+01 -0.561314D+01
      2  -0.609596D+01  0.861704D+00 -0.369521D+01  0.321177D+00  0.245307D+01
      3   0.831032D+01  0.212949D+01  0.278520D+01  0.510603D+01 -0.343656D-01
                51            52            53            54            55 
      1  -0.119174D+02 -0.111620D+01 -0.333264D+01  0.100242D+02  0.285986D+01
      2   0.560385D+01 -0.602797D+01  0.279793D+01  0.148833D+01 -0.244339D+01
      3   0.174196D+01 -0.351311D-01 -0.758724D+00 -0.565868D+01 -0.133326D+02
                56            57            58            59            60 
      1   0.104852D+01  0.119825D+01  0.224153D+01  0.529956D+01 -0.701940D+01
      2  -0.275612D+01  0.153234D+01 -0.844179D+00 -0.260473D+01  0.320161D+00
      3  -0.723021D+01 -0.992616D+00  0.149903D+01 -0.617656D+01  0.420665D+00
                61            62            63            64            65 
      1   0.964732D+00  0.107833D+01  0.445141D+01 -0.664964D+00  0.201749D+00
      2  -0.292957D+01 -0.328991D+00 -0.120608D+01  0.863083D+00  0.101405D+01
      3  -0.456206D+01  0.207112D+01 -0.136284D+01 -0.206396D+00 -0.116126D+01
                66            67            68            69            70 
      1   0.150165D+00  0.887892D-01  0.367004D+00 -0.440945D+00  0.100545D+01
      2   0.698703D+00 -0.689210D-01  0.274619D+00  0.195929D+00 -0.430991D+01
      3   0.281594D-01  0.950528D+00 -0.333750D+00 -0.343854D+00  0.174615D+01
                71            72            73            74            75 
      1   0.337681D+01 -0.520476D+01 -0.899716D+00 -0.308262D+01 -0.273996D+01
      2  -0.657982D+00  0.312499D+01  0.162551D+01 -0.819106D+01 -0.209747D+01
      3  -0.395230D+00 -0.437864D+00  0.116949D+02  0.147395D+01  0.922638D+01
                76            77            78            79            80 
      1  -0.331845D+01 -0.267270D+00  0.159517D+01 -0.437144D+01  0.521397D+01
      2  -0.849608D+01 -0.317620D+01  0.109061D+02 -0.970699D+01  0.122781D+02
      3   0.988917D+01 -0.392501D+01  0.667800D+01  0.932297D+01  0.591233D+01
                81            82            83            84            85 
      1   0.210966D+01  0.539403D+01  0.455571D+01  0.605572D+01  0.558272D+01
      2   0.815219D+00  0.361526D+00 -0.133662D+02  0.317727D+01 -0.120226D+02
      3  -0.854143D+01  0.593295D+01 -0.900944D+01  0.740915D+01 -0.288088D+01
                86            87            88            89            90 
      1   0.414950D+01 -0.763262D+01  0.646062D+01 -0.105085D+01 -0.100892D+02
      2  -0.112000D+01  0.107074D+01 -0.318050D+01 -0.960171D-01  0.352561D+01
      3   0.253173D+01 -0.408524D+01  0.576839D+01 -0.324542D+01 -0.627383D+01
                91            92            93            94            95 
      1  -0.192841D+01  0.744684D+00 -0.617100D+00  0.249034D+01 -0.465536D+01
      2  -0.214635D-01  0.107836D+01 -0.540866D+00  0.327705D+01 -0.717901D+00
      3   0.213201D+00 -0.168670D+01  0.556572D+00 -0.823786D+00  0.187934D+01
                96            97            98            99           100 
      1   0.579499D+01 -0.166008D+01  0.645592D+01 -0.104914D+02  0.246403D+01
      2  -0.205224D+01 -0.484681D+01 -0.800508D+00  0.219838D+01 -0.277690D+01
      3  -0.166649D+01  0.126041D+01 -0.100977D+01  0.326390D+01  0.196096D+01
               101           102           103           104           105 
      1   0.281758D+01 -0.582537D+00  0.287659D+01  0.806142D+01 -0.994502D+00
      2  -0.212623D+01  0.141475D+01 -0.413177D+01 -0.254768D+01  0.137859D+00
      3  -0.395405D+00 -0.189348D+00  0.437868D+01 -0.184990D+01 -0.352386D+00
               106           107           108           109           110 
      1  -0.488731D+00  0.111667D+01 -0.471391D+00 -0.150705D+01 -0.584455D+00
      2  -0.771239D+00 -0.536781D+00 -0.768520D+00  0.182332D+01  0.198199D+01
      3   0.652260D+00  0.242229D+00  0.127957D+01  0.123725D+02  0.380000D+01
               111           112           113           114           115 
      1  -0.249118D+01 -0.102641D+01 -0.306209D+00 -0.177942D+01 -0.124631D+01
      2   0.190763D+01  0.102235D+01  0.135885D+01  0.103880D+01 -0.881744D-01
      3   0.241328D+00  0.530622D+01  0.418497D+01 -0.592114D-01  0.145087D+01
               116           117           118           119           120 
      1  -0.539155D+00  0.200202D+00  0.100122D-01 -0.357433D+00 -0.263984D+00
      2   0.876123D+00  0.496424D+00  0.244105D+01  0.155905D+01 -0.100953D+01
      3   0.301282D-01  0.738149D+00  0.195393D+01  0.136577D+01 -0.177248D+01
               121           122           123           124           125 
      1   0.896267D-02 -0.771812D+00 -0.322690D+01  0.287055D+00  0.630340D+00
      2   0.199630D+01  0.601599D+01 -0.728354D+01 -0.181005D+01 -0.689791D+01
      3   0.225800D+01  0.101594D+02 -0.649814D+01 -0.248436D+01 -0.732486D+01
               126           127           128           129           130 
      1   0.299507D+01 -0.175295D+01  0.106910D+01  0.228629D+01  0.177519D+01
      2   0.885363D+01 -0.404156D+01  0.335881D+01  0.547395D+01  0.310386D+01
      3   0.665299D+01  0.444589D+00 -0.356904D+01 -0.170987D+01 -0.177305D+01
               131           132           133           134           135 
      1  -0.146995D+01 -0.380526D+01  0.221045D+01 -0.617980D+00 -0.548050D+01
      2  -0.413300D+01 -0.620179D+01  0.420086D+01 -0.588948D+01 -0.111831D+02
      3   0.615181D+01  0.239650D+01 -0.166742D+01  0.536099D+01  0.407199D+01
               136           137           138           139           140 
      1   0.209354D+01  0.202703D+01  0.960688D+00  0.134208D+01  0.212687D+01
      2   0.191136D+01  0.141411D+01  0.547292D+01  0.181024D+01  0.145002D+01
      3  -0.926276D+01 -0.774956D+01 -0.376955D+01 -0.570044D+01 -0.759649D+01
               141           142           143           144           145 
      1  -0.464678D+00  0.150156D+01  0.158161D+01  0.561270D+00 -0.201632D+01
      2   0.291898D+01  0.249543D+01  0.290548D+00  0.327733D+01 -0.853449D+01
      3  -0.292285D+01 -0.385746D+01 -0.348199D+01 -0.193344D+01 -0.981208D+01
               146           147           148           149           150 
      1   0.247946D+01  0.118653D+01  0.123151D+01 -0.350628D+01 -0.919770D+00
      2   0.531817D+01 -0.198444D+01  0.533308D+01 -0.438124D+01  0.211578D+01
      3   0.512824D+01 -0.307105D+01  0.725231D+01 -0.618104D+01  0.319698D+01
               151           152           153           154           155 
      1  -0.736147D-01  0.144053D+01  0.123334D+01 -0.474663D+01 -0.445809D+01
      2  -0.348700D+01  0.259586D+01 -0.281752D+01  0.609267D+01  0.463447D+01
      3  -0.285945D+01  0.226009D+01 -0.232432D+01  0.234685D+01 -0.239118D+01
               156           157           158           159           160 
      1  -0.355993D+01 -0.431865D+01 -0.558365D+01 -0.257003D+01 -0.223115D+01
      2   0.411964D+01  0.502694D+01  0.387872D+01  0.233879D+01  0.177299D+01
      3  -0.415041D-01  0.207459D+01 -0.346739D+01  0.467048D+00  0.604280D+00
               161           162           163           164           165 
      1  -0.879413D+00 -0.170018D+01  0.186463D+01 -0.244503D+01 -0.322954D+01
      2   0.158366D+01  0.217733D+01  0.167894D-02  0.791222D+00  0.201481D+01
      3  -0.117288D+01  0.541636D+00  0.126649D+01 -0.186527D+01 -0.263744D+01
               166           167           168           169           170 
      1  -0.196718D+01  0.471155D+01  0.384347D+01 -0.382353D+01  0.637373D+01
      2  -0.106660D+00 -0.105800D+01 -0.344773D+01 -0.139597D+01 -0.990027D+00
      3  -0.423009D+00  0.293537D+01  0.294421D+01 -0.267967D+01  0.359973D+01
               171 
      1   0.988429D+01
      2  -0.822573D+01
      3   0.482408D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.849129D+01 -0.205025D+01 -0.375413D+01  0.317358D+01 -0.101840D+02
      2  -0.421891D+01  0.154529D+00 -0.315961D+00 -0.297645D+01  0.159507D+02
      3  -0.427239D+01  0.189572D+01  0.407009D+01 -0.197125D+00 -0.576674D+01
      4  -0.635253D+01  0.148222D+02  0.428294D+01  0.699477D+01 -0.742766D+01
      5  -0.645296D+01  0.494657D+01  0.135493D+02  0.337575D+01 -0.492603D+01
      6   0.356300D+01  0.326689D+00 -0.140687D+01 -0.157578D+01  0.845839D+01
                 6             7             8             9            10 
      1  -0.560756D+01  0.230922D+01 -0.493879D+01 -0.100486D+02 -0.525364D+02
      2   0.225754D+01  0.638075D+00  0.201648D+01 -0.293707D+01  0.307963D+02
      3   0.335002D+01 -0.294730D+01  0.292231D+01  0.129856D+02  0.217401D+02
      4  -0.269655D+01  0.334234D+01  0.293803D+01 -0.391806D+01 -0.422377D+01
      5   0.701302D+00  0.706518D+01 -0.425185D+01 -0.383803D+01 -0.193041D+02
      6   0.803367D+01 -0.123792D+01  0.962436D+01  0.903494D+01  0.317241D+01
                11            12            13            14            15 
      1   0.201180D+01 -0.950028D+01 -0.686240D+01  0.144151D+01  0.892066D+01
      2  -0.789407D+01  0.800315D+01  0.218253D+01 -0.476050D+00 -0.194791D+01
      3   0.588228D+01  0.149713D+01  0.467987D+01 -0.965465D+00 -0.697275D+01
      4  -0.154536D+02  0.135242D+01  0.530237D+01 -0.371713D+01  0.104042D+01
      5   0.138893D+01 -0.182848D+02 -0.165533D+01  0.353629D+00 -0.193602D+01
      6  -0.546161D+01  0.114214D+01 -0.477942D+00 -0.558034D+01  0.670449D+00
                16            17            18            19            20 
      1  -0.163152D+02  0.885632D+01 -0.154729D+00  0.104212D+03  0.215030D+00
      2   0.824975D+01 -0.835082D+01  0.253104D+00 -0.571849D+02  0.458881D+01
      3   0.806545D+01 -0.505496D+00 -0.983751D-01 -0.470272D+02 -0.480384D+01
      4  -0.125373D+01 -0.787335D+01  0.163078D+01  0.481515D-01  0.249122D+02
      5  -0.852272D+00  0.344029D+01 -0.669929D+01  0.247835D+02 -0.852380D+00
      6   0.187892D+01 -0.213521D+01 -0.535131D+01 -0.531913D+01  0.294928D+01
                21            22            23            24            25 
      1   0.161216D+02  0.383354D+01  0.966252D+01 -0.203934D+01  0.131373D+02
      2  -0.121665D+02 -0.315448D+01 -0.317447D+00  0.776814D+00 -0.107254D+02
      3  -0.395512D+01 -0.679056D+00 -0.934507D+01  0.126253D+01 -0.241189D+01
      4  -0.838200D+00  0.217262D+02  0.156808D+01  0.573415D+01 -0.145320D+01
      5   0.284942D+02 -0.132314D+01  0.448137D+01  0.759607D+00  0.279264D+02
      6  -0.230520D+01  0.346922D+01 -0.470091D+00  0.488348D+01 -0.264206D+01
                26            27            28            29            30 
      1  -0.181471D+01  0.128677D+02 -0.697023D+01  0.530418D+01  0.247372D+01
      2   0.149948D+01 -0.136451D+02  0.440760D+01 -0.602581D+01 -0.114836D+01
      3   0.315222D+00  0.777384D+00  0.256263D+01  0.721630D+00 -0.132536D+01
      4   0.635875D+01 -0.136566D+01  0.580008D+00 -0.681698D+00 -0.666284D+00
      5  -0.452573D+00  0.176380D+02  0.244115D+01 -0.309356D+00 -0.937376D+00
      6   0.503072D+01 -0.179386D+01  0.121078D+01 -0.860426D+00 -0.275535D+01
                31            32            33            34            35 
      1  -0.718506D+01  0.968890D+01 -0.727537D+01 -0.360404D-01 -0.107339D+02
      2   0.514398D+01 -0.163998D+02  0.517490D+01 -0.874754D+00  0.181321D+02
      3   0.204109D+01  0.671089D+01  0.210047D+01  0.910795D+00 -0.739818D+01
      4  -0.373285D+01 -0.158908D+01  0.180125D+01 -0.156460D+01 -0.157313D+01
      5  -0.142887D+01  0.577662D+00 -0.438380D+01 -0.252896D+01 -0.819151D+00
      6   0.140336D+01  0.204631D+01 -0.353849D+01 -0.943646D-01 -0.726366D+00
                36            37            38            39            40 
      1   0.948534D+01  0.177979D+01  0.940121D+01 -0.554452D+01  0.158382D+02
      2   0.125219D+02 -0.892487D+00 -0.187615D+01  0.413775D+01 -0.464034D+01
      3  -0.220073D+02 -0.887302D+00 -0.752506D+01  0.140677D+01 -0.111979D+02
      4   0.107850D+01  0.144480D+02  0.639924D-01  0.607221D+01 -0.106317D+00
      5  -0.602146D+01 -0.576600D+01  0.669921D+01  0.292733D+01  0.126872D+02
      6  -0.107698D+02 -0.245623D+01  0.565215D+01  0.118599D+01  0.406946D+01
                41            42            43            44            45 
      1   0.481590D+00  0.771427D+01 -0.366218D+01  0.753655D+01  0.396036D+01
      2   0.374253D+01 -0.482222D+01  0.139155D+01 -0.260436D+01 -0.712277D+01
      3  -0.422412D+01 -0.289206D+01  0.227063D+01 -0.493219D+01  0.316241D+01
      4   0.974444D-01  0.352609D+01  0.102273D+02  0.205110D+01 -0.975523D+01
      5   0.449580D+01 -0.103227D+02  0.471315D+01 -0.104727D+02  0.308881D+01
      6   0.565982D+01 -0.582484D+01 -0.301269D+01 -0.622182D+01  0.422141D+01
                46            47            48            49            50 
      1  -0.407351D+01  0.404951D+01  0.799047D+01  0.242926D+01  0.686850D+01
      2  -0.947639D+00 -0.759512D+01 -0.947571D+00 -0.830439D+01 -0.118145D+02
      3   0.502115D+01  0.354560D+01 -0.704289D+01  0.587514D+01  0.494597D+01
      4  -0.245956D+01 -0.129099D+02 -0.407064D+01 -0.708233D+01 -0.892307D+01
      5   0.389061D+01 -0.604609D+01 -0.807247D+01 -0.544013D+01 -0.761621D+01
      6   0.726549D+00 -0.989518D+01 -0.585199D+01 -0.909398D+01 -0.121906D+02
                51            52            53            54            55 
      1  -0.836795D+01  0.711840D+01 -0.673984D+01  0.682632D+01  0.488480D+01
      2  -0.113927D+02 -0.209933D+01 -0.736673D+01  0.109108D+02 -0.927438D+01
      3   0.197607D+02 -0.501907D+01  0.141066D+02 -0.177371D+02  0.438958D+01
      4  -0.566173D+01 -0.181012D+01 -0.204357D+01  0.180695D+01 -0.187150D+02
      5   0.581207D+01 -0.284645D+01  0.190919D+01 -0.658711D+01 -0.151329D+01
      6  -0.234080D+01 -0.190427D+01 -0.759212D-01  0.691046D+01 -0.368207D+01
                56            57            58            59            60 
      1   0.205668D+01 -0.205190D+00  0.377604D+01 -0.212937D+02  0.660158D+01
      2  -0.104123D+02  0.426537D+00 -0.717730D+01  0.311283D+02 -0.234215D+01
      3   0.835562D+01 -0.221347D+00  0.340126D+01 -0.983459D+01 -0.425943D+01
      4  -0.735827D+01 -0.278661D+01 -0.100697D+01 -0.616016D+01 -0.217413D+01
      5  -0.752621D+00  0.325462D+01 -0.159002D+00 -0.144736D+01  0.179769D+01
      6  -0.209141D+01 -0.106860D+01 -0.194447D+01 -0.515859D+01  0.867195D+01
                61            62            63            64            65 
      1  -0.112468D+01  0.974077D+01 -0.836864D+01  0.274158D+00 -0.490384D+00
      2  -0.187043D+00 -0.147693D+02  0.257828D+01 -0.334113D+01 -0.203740D+00
      3   0.131172D+01  0.502857D+01  0.579036D+01  0.306698D+01  0.694124D+00
      4  -0.517481D+01 -0.369373D+01  0.227303D+00 -0.333896D+00  0.258906D+01
      5   0.313280D+01  0.200284D+01 -0.226544D+01  0.116629D+01  0.140017D+01
      6  -0.967503D+00  0.109516D+02 -0.624122D+01  0.214673D+01  0.288722D+00
                66            67            68            69            70 
      1   0.422680D+00  0.231286D+00 -0.592015D+01 -0.377805D+01  0.348337D+00
      2  -0.642311D+00 -0.236262D+00  0.312193D+01  0.987834D+00 -0.236638D+00
      3   0.219630D+00  0.497635D-02  0.279822D+01  0.279021D+01 -0.111699D+00
      4   0.267600D+01  0.172739D+01  0.530917D+00  0.210923D+00  0.169881D+01
      5   0.702801D+01  0.679494D+00  0.452526D+00  0.752730D+00  0.587770D+01
      6   0.806523D+00  0.279341D+00  0.480144D+01  0.882496D+01  0.878613D+00
                71            72            73            74            75 
      1  -0.482236D+01 -0.193112D+02 -0.123295D+02 -0.177264D+02 -0.352925D+01
      2   0.753640D+00 -0.160474D+02  0.109277D+02  0.111054D+02  0.598826D+01
      3   0.406872D+01  0.353585D+02  0.140185D+01  0.662103D+01 -0.245901D+01
      4   0.954779D+00  0.220206D+00 -0.191031D+02 -0.851472D+00 -0.168867D+02
      5   0.112984D+01  0.552173D+01 -0.177922D+01 -0.186168D+02 -0.875220D+01
      6   0.772307D+01  0.172504D+02 -0.573289D+01  0.352848D+01  0.620548D+00
                76            77            78            79            80 
      1  -0.236426D+02 -0.569926D+00 -0.212273D+02 -0.415943D+01 -0.194529D+02
      2   0.149299D+02  0.719210D+00  0.108444D+02  0.681939D+01  0.875475D+01
      3   0.871270D+01 -0.149284D+00  0.103829D+02 -0.265996D+01  0.106981D+02
      4  -0.410546D+01  0.441223D+01 -0.121869D+01 -0.201429D+02  0.108364D+01
      5  -0.231792D+02 -0.399305D+01  0.142176D+02 -0.131496D+02  0.162149D+02
      6   0.357953D+01  0.171982D+01 -0.932556D+01  0.389646D+01 -0.980948D+01
                81            82            83            84            85 
      1  -0.301269D+01  0.367050D+01 -0.207776D+02  0.494897D+01 -0.203072D+02
      2  -0.165040D+01 -0.106825D+02  0.245931D+01 -0.120266D+02 -0.398342D+00
      3   0.466308D+01  0.701201D+01  0.183183D+02  0.707767D+01  0.207055D+02
      4   0.168850D+02 -0.140432D+02 -0.140755D+02 -0.573106D+01 -0.148786D+02
      5   0.373522D+01  0.103926D+01  0.446953D+00 -0.450841D+01 -0.214300D+01
      6  -0.365422D+00  0.761125D+01 -0.764444D+01  0.671252D+01 -0.732157D+01
                86            87            88            89            90 
      1  -0.246258D+01 -0.313224D+01  0.164630D+01 -0.426658D+01 -0.236937D+01
      2  -0.400088D+01  0.105779D+02 -0.120684D+02  0.814419D+01  0.151652D+02
      3   0.646347D+01 -0.744570D+01  0.104221D+02 -0.387762D+01 -0.127959D+02
      4  -0.502767D+01 -0.765624D+01 -0.931061D+01 -0.107274D+02  0.979327D+01
      5  -0.354712D+01  0.192510D+02 -0.640962D+01  0.163635D+02  0.937011D+01
      6  -0.136951D+01  0.592155D+01  0.738629D+01  0.654481D+01 -0.856126D+01
                91            92            93            94            95 
      1  -0.474130D+00 -0.621833D+00  0.108479D+00 -0.476470D+00 -0.520005D+01
      2  -0.411938D+01  0.122691D+01 -0.171065D+01  0.269283D+01 -0.103844D+01
      3   0.459351D+01 -0.605080D+00  0.160217D+01 -0.221636D+01  0.623849D+01
      4  -0.183872D+00  0.232319D+01  0.655852D+00  0.170071D+01  0.139643D+00
      5   0.182774D+01 -0.131303D+01  0.874749D+01 -0.275839D+01  0.250764D+01
      6  -0.870181D+00  0.109434D+01  0.648667D+00  0.298376D+01 -0.299350D+01
                96            97            98            99           100 
      1   0.795446D+01 -0.258274D+01  0.300187D+01 -0.224542D+02  0.370077D+00
      2   0.889480D+01 -0.197185D+01  0.479811D+01 -0.207606D+02  0.480257D+01
      3  -0.168493D+02  0.455459D+01 -0.779998D+01  0.432147D+02 -0.517265D+01
      4   0.212160D+01  0.708098D+00  0.176477D+01 -0.122337D+01  0.915751D+01
      5  -0.463445D+01  0.722995D+01 -0.101408D+01  0.898741D+01  0.523257D+01
      6   0.616822D+01 -0.201757D+00  0.589250D+01  0.117745D+00  0.596828D+01
               101           102           103           104           105 
      1  -0.342588D+01 -0.217207D+01 -0.371178D+01 -0.185887D+02 -0.730373D+01
      2   0.723089D+01  0.126651D+01  0.738278D+01  0.290019D+02  0.757040D+01
      3  -0.380501D+01  0.905565D+00 -0.367100D+01 -0.104132D+02 -0.266672D+00
      4   0.125358D+02  0.463489D+01  0.116861D+02  0.160094D+02  0.541955D+01
      5   0.641674D+01  0.523609D+01  0.547220D+01  0.688935D+01  0.418607D+01
      6   0.782781D+01  0.569606D+01  0.690316D+01  0.221938D+02  0.131527D+02
               106           107           108           109           110 
      1  -0.263073D+01 -0.356527D+01 -0.620477D+01  0.168694D+01 -0.365817D+01
      2   0.371157D+00  0.219824D+01  0.173300D+01  0.104438D+02  0.163675D+02
      3   0.225958D+01  0.136703D+01  0.447177D+01 -0.121308D+02 -0.127093D+02
      4   0.156715D+01  0.235128D+01  0.308398D+01  0.235456D+02  0.222543D+02
      5   0.254911D+01  0.280947D+01  0.343500D+01 -0.235443D+00 -0.121731D+00
      6   0.366165D+01  0.882194D+01  0.612937D+01  0.176178D+01  0.119209D+01
               111           112           113           114           115 
      1   0.191355D-01 -0.179285D+01 -0.621590D+01 -0.797781D-01 -0.281417D+00
      2  -0.416501D+00  0.928184D+01  0.170281D+02  0.189695D+00  0.120143D+01
      3   0.397365D+00 -0.748899D+01 -0.108122D+02 -0.109917D+00 -0.920017D+00
      4   0.248332D+00  0.136021D+02  0.141561D+02  0.138730D+00  0.267338D+01
      5   0.217434D+01 -0.213095D+00  0.208466D+00  0.995895D+00  0.301642D+01
      6   0.337334D+01  0.838917D+00  0.126599D+01  0.283621D+01  0.361175D+01
               116           117           118           119           120 
      1  -0.971777D+00 -0.129111D+01 -0.166933D+01 -0.168833D+01  0.389284D+01
      2   0.200863D+01  0.166398D+01  0.982872D+00  0.881792D+00 -0.132745D+01
      3  -0.103686D+01 -0.372874D+00  0.686458D+00  0.806537D+00 -0.256539D+01
      4   0.255696D+01  0.346168D+01  0.131533D+01  0.146790D+01  0.105229D+00
      5   0.224924D+01  0.490396D+00  0.126386D+01  0.849087D+00  0.944937D+00
      6   0.499060D+01  0.339887D+00 -0.144387D+01 -0.945155D+00  0.794469D+00
               121           122           123           124           125 
      1  -0.364170D+01 -0.874670D+01  0.846047D+01  0.625942D+01  0.867843D+01
      2   0.120420D+01  0.119785D+02 -0.580346D+01 -0.320917D+01 -0.597719D+01
      3   0.243750D+01 -0.323178D+01 -0.265701D+01 -0.305025D+01 -0.270124D+01
      4   0.681384D+01 -0.163249D+02  0.949239D+01 -0.284759D+01  0.109567D+02
      5  -0.804657D+00  0.996360D+01 -0.121803D+02  0.584684D+01 -0.117069D+02
      6   0.703569D+00 -0.114401D+02  0.115595D+02 -0.142227D+01  0.119242D+02
               126           127           128           129           130 
      1  -0.842486D+01  0.164527D+02 -0.490627D+01 -0.650013D+01 -0.527914D+01
      2   0.670397D+00 -0.712662D+01 -0.388107D+00  0.159842D+01 -0.111904D+01
      3   0.775446D+01 -0.932603D+01  0.529438D+01  0.490171D+01  0.639817D+01
      4  -0.110231D+02 -0.101748D+02  0.102492D+02  0.820317D+01  0.132235D+02
      5   0.147910D+02 -0.859439D+01  0.705743D+01  0.106113D+02  0.800052D+01
      6  -0.123275D+02  0.396768D+01 -0.255568D+01 -0.298496D+01 -0.380115D+01
               131           132           133           134           135 
      1   0.208414D+01  0.342285D+01 -0.130538D+02  0.457376D+01  0.378633D+01
      2   0.540639D+01  0.122767D+01  0.524340D+01  0.157330D+01 -0.293484D+01
      3  -0.749053D+01 -0.465051D+01  0.781035D+01 -0.614706D+01 -0.851492D+00
      4  -0.162358D+02 -0.874697D+01  0.141039D+02 -0.137533D+02 -0.124070D+02
      5  -0.776627D+01 -0.103129D+02  0.151854D+02 -0.117694D+02 -0.211672D+02
      6   0.591232D+01  0.774440D+01 -0.571339D+01  0.841362D+01  0.992435D+01
               136           137           138           139           140 
      1   0.460604D+02  0.118685D+02  0.113777D+02  0.241242D+02  0.875960D+01
      2  -0.270722D+02 -0.796194D+01 -0.898890D+01 -0.144424D+02 -0.446866D+01
      3  -0.189882D+02 -0.390651D+01 -0.238881D+01 -0.968180D+01 -0.429094D+01
      4   0.848656D+01  0.101626D+02  0.399870D+01  0.121819D+02  0.115561D+02
      5   0.163352D+02  0.605608D+01  0.128352D+02  0.108894D+02  0.546899D+01
      6   0.144467D+01  0.104321D+01  0.163207D+00  0.199057D+01  0.242533D+01
               141           142           143           144           145 
      1   0.677484D+01  0.127296D+02  0.464786D+01  0.760294D+01 -0.912160D+01
      2  -0.566322D+01 -0.102171D+02 -0.377436D+01 -0.696014D+01  0.758207D+01
      3  -0.111162D+01 -0.251253D+01 -0.873505D+00 -0.642804D+00  0.153953D+01
      4   0.421302D+01  0.408877D+01  0.394574D+01  0.129141D+01 -0.641569D+01
      5   0.690244D+01  0.147670D+02  0.267251D+01  0.991741D+01  0.797516D+01
      6   0.317777D+01  0.432222D+00  0.351395D+01  0.976011D+00 -0.688635D+01
               146           147           148           149           150 
      1   0.134318D+02 -0.857537D+01  0.105327D+02 -0.145419D+02  0.799495D+01
      2  -0.111731D+02  0.327522D+01 -0.798801D+01  0.167035D+02 -0.549189D+01
      3  -0.225865D+01  0.530015D+01 -0.254472D+01 -0.216158D+01 -0.250306D+01
      4   0.408351D+01 -0.591355D+00  0.646802D+01  0.352133D-01  0.622268D+00
      5  -0.324123D+01  0.211577D+01 -0.405047D+01  0.213944D+01 -0.182960D+01
      6   0.103395D+02 -0.892458D+01  0.643353D+01 -0.130157D+02  0.860087D+01
               151           152           153           154           155 
      1  -0.495482D+01  0.698318D+01 -0.744703D+01  0.205560D+02  0.956745D+01
      2   0.263373D+01 -0.379583D+01 -0.107284D+00 -0.123451D+01  0.552941D+01
      3   0.232110D+01 -0.318735D+01  0.755431D+01 -0.193215D+02 -0.150969D+02
      4  -0.946953D+00  0.133278D+01 -0.174520D+01  0.251725D+02  0.216968D+02
      5   0.410340D+01 -0.217478D+01 -0.116405D+00 -0.743943D+01 -0.500723D+01
      6  -0.541664D+01  0.776275D+01 -0.692831D+01 -0.426788D+01 -0.384710D+01
               156           157           158           159           160 
      1   0.166546D+01  0.893232D+01  0.180510D+01  0.165320D+01  0.538789D+01
      2   0.251940D+01  0.546767D+01  0.138241D+02  0.420102D+00  0.128087D+01
      3  -0.418486D+01 -0.144000D+02 -0.156292D+02 -0.207330D+01 -0.666876D+01
      4   0.397239D+00  0.204467D+02  0.228159D+02  0.831043D+00  0.662770D+01
      5   0.620576D+01 -0.493525D+01 -0.373893D+01  0.189092D+01  0.370601D+01
      6   0.343147D+01 -0.311413D+01 -0.602263D+01  0.404805D+01  0.207600D+01
               161           162           163           164           165 
      1   0.174200D+01  0.226025D+01  0.442333D+01  0.285895D+00 -0.348876D+01
      2   0.286130D+01 -0.732252D+00 -0.669188D+01  0.256239D+01  0.959992D+01
      3  -0.460331D+01 -0.152800D+01  0.226854D+01 -0.284828D+01 -0.611116D+01
      4   0.683660D+01  0.347261D+01  0.138685D+01  0.420716D+01  0.138029D+00
      5   0.101433D+01  0.973002D+00 -0.105569D+02  0.219343D+01  0.135067D+02
      6   0.234051D+01  0.244864D+01 -0.914528D+00 -0.941267D+00  0.722642D+00
               166           167           168           169           170 
      1  -0.139544D+01 -0.426658D+00 -0.148205D+01 -0.301122D+01  0.749174D+00
      2   0.499818D+01 -0.337257D+01 -0.986628D+01  0.108846D+02 -0.689770D+01
      3  -0.360275D+01  0.379923D+01  0.113483D+02 -0.787340D+01  0.614852D+01
      4   0.330436D+01 -0.378037D+01 -0.268357D+01 -0.533000D+00 -0.346664D+01
      5   0.698607D+01 -0.450349D+01 -0.116675D+02  0.149330D+02 -0.500953D+01
      6  -0.101186D+01  0.495209D+01  0.381184D+01  0.926081D+00  0.547180D+01
               171 
      1  -0.908618D+01
      2  -0.239828D+02
      3   0.330689D+02
      4  -0.151404D+01
      5  -0.269396D+02
      6  -0.382037D+01
 Leave Link  716 at Thu Jul  8 18:42:30 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.942655D+02  0.213513D+01  0.431355D+01
      2   0.213513D+01  0.800375D+02  0.119418D+01
      3   0.431355D+01  0.119418D+01  0.770759D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.390323D+01  0.103444D+02  0.477241D+01
      2   0.447734D+01  0.760477D+01 -0.273270D+02
      3  -0.108329D+02  0.291729D+02 -0.898732D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.345347D+02  0.414300D+01  0.155609D+02
      2   0.207019D+02  0.172393D+01 -0.258207D+02
      3   0.138328D+02 -0.586693D+01  0.102598D+02
      4  -0.878360D+01 -0.614659D+02  0.779954D+01
      5   0.272148D+02  0.970119D+01 -0.684310D+02
      6  -0.302023D+01 -0.455101D-02 -0.151701D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.402833D+01 -0.200431D+01 -0.113617D+01 -0.113138D+01  0.531534D+00
      2  -0.200431D+01  0.230317D+00  0.588044D+00  0.531534D+00 -0.393307D+01
      3  -0.113617D+01  0.588044D+00 -0.550276D+00  0.427214D-01 -0.126172D+01
                 6             7             8             9            10 
      1   0.427214D-01 -0.479157D+00 -0.414558D+00  0.279709D+00 -0.750964D+01
      2  -0.126172D+01 -0.414558D+00 -0.182103D+01 -0.151746D+01 -0.163325D+01
      3  -0.829222D+00  0.279709D+00 -0.151746D+01 -0.296708D+01 -0.366875D+01
                11            12            13            14            15 
      1  -0.163325D+01 -0.366875D+01 -0.155967D+01  0.724421D+00  0.105234D+01
      2  -0.117222D+01  0.851314D+00  0.724421D+00  0.186344D+00  0.415685D+00
      3   0.851314D+00 -0.207169D+00  0.105234D+01  0.415685D+00  0.597331D+00
                16            17            18            19            20 
      1  -0.243020D+01  0.101472D+01  0.203037D+00  0.176780D+02  0.506745D+00
      2   0.101472D+01  0.522131D+00  0.909732D+00  0.506745D+00  0.329767D+01
      3   0.203037D+00  0.909732D+00  0.163062D+01  0.417785D+01  0.191648D+00
                21            22            23            24            25 
      1   0.417785D+01  0.129893D+00  0.320907D+01 -0.410459D+00  0.294764D+01
      2   0.191648D+00  0.320907D+01  0.971669D+00  0.949385D+00 -0.185398D+00
      3   0.289041D+01 -0.410459D+00  0.949385D+00  0.451010D-01  0.413664D+01
                26            27            28            29            30 
      1  -0.185398D+00  0.413664D+01  0.139437D+01  0.350655D+01  0.141939D+01
      2   0.870331D+00  0.503865D-02  0.350655D+01 -0.198653D+00 -0.210101D+00
      3   0.503865D-02  0.280284D+01  0.141939D+01 -0.210101D+00  0.345379D+00
                31            32            33            34            35 
      1   0.268038D+01 -0.367365D+00  0.311237D+00  0.164582D+01 -0.275242D+00
      2  -0.367365D+00 -0.228966D+01  0.145975D+01 -0.275242D+00  0.274585D+01
      3   0.311237D+00  0.145975D+01 -0.549799D+00 -0.261600D-01 -0.214649D+01
                36            37            38            39            40 
      1  -0.261600D-01 -0.165246D+01 -0.365671D+01  0.116100D+01 -0.326975D+01
      2  -0.214649D+01 -0.365671D+01 -0.722056D+00 -0.291748D+01 -0.256401D+00
      3  -0.675791D+01  0.116100D+01 -0.291748D+01 -0.153926D+01 -0.277527D+01
                41            42            43            44            45 
      1  -0.256401D+00 -0.277527D+01  0.118044D+01 -0.313344D+01 -0.107210D+01
      2   0.253970D+00 -0.966821D+00 -0.313344D+01 -0.214694D+01  0.419287D+01
      3  -0.966821D+00  0.520211D+01 -0.107210D+01  0.419287D+01  0.770872D+00
                46            47            48            49            50 
      1  -0.199907D+01  0.145075D+01 -0.944286D+00  0.368177D+00  0.244903D+01
      2   0.145075D+01  0.270572D+01  0.808284D+00  0.244903D+01  0.288864D+01
      3  -0.944286D+00  0.808284D+00  0.291790D+01  0.107220D+01  0.179648D+01
                51            52            53            54            55 
      1   0.107220D+01 -0.138819D+01  0.123725D+01  0.168422D+01 -0.445179D+01
      2   0.179648D+01  0.123725D+01  0.590750D+00 -0.330596D+01 -0.230122D+01
      3  -0.495424D+01  0.168422D+01 -0.330596D+01  0.267643D+01 -0.990485D+00
                56            57            58            59            60 
      1  -0.230122D+01 -0.990485D+00 -0.101380D+01 -0.121821D+01 -0.221670D+00
      2  -0.348581D+01 -0.559822D-01 -0.121821D+01  0.421705D+01 -0.149245D+01
      3  -0.559822D-01 -0.873101D+00 -0.221670D+00 -0.149245D+01 -0.314990D+00
                61            62            63            64            65 
      1  -0.188814D+01 -0.374770D+00 -0.652502D-01 -0.188510D+00 -0.758670D-01
      2  -0.374770D+00 -0.327451D+01  0.181636D+01 -0.758670D-01 -0.370203D-02
      3  -0.652502D-01  0.181636D+01 -0.732330D+00  0.115162D+01  0.530415D-01
                66            67            68            69            70 
      1   0.115162D+01  0.245813D-01  0.120988D+00  0.472628D-01  0.127594D+01
      2   0.530415D-01  0.120988D+00  0.131632D+01  0.112656D+01  0.410582D+00
      3   0.308944D-01  0.472628D-01  0.112656D+01  0.103493D+01  0.184470D+00
                71            72            73            74            75 
      1   0.410582D+00  0.184470D+00  0.173442D+01  0.344305D+01 -0.116187D+00
      2   0.178249D+01  0.135211D+01  0.344305D+01  0.150540D-01  0.355493D+01
      3   0.135211D+01  0.869686D+01 -0.116187D+00  0.355493D+01  0.108745D+01
                76            77            78            79            80 
      1   0.422950D+01  0.978095D+00  0.354316D+01 -0.740136D-01  0.335888D+01
      2   0.978095D+00 -0.150734D+01  0.136851D+01  0.335888D+01  0.119514D+01
      3   0.354316D+01  0.136851D+01 -0.375938D+01  0.212007D+01 -0.405916D+01
                81            82            83            84            85 
      1   0.212007D+01  0.477182D+00  0.465801D+01 -0.991008D+00  0.422013D+01
      2  -0.405916D+01  0.465801D+01  0.922177D-01  0.321996D+01  0.440242D+00
      3  -0.124700D+00 -0.991008D+00  0.321996D+01  0.373722D+00  0.328786D+01
                86            87            88            89            90 
      1   0.440242D+00  0.328786D+01 -0.343831D+00  0.355616D+01  0.100716D+01
      2   0.151187D+01  0.333442D+00  0.355616D+01  0.169177D+01 -0.333129D+01
      3   0.333442D+00 -0.452509D+01  0.100716D+01 -0.333129D+01 -0.235027D+01
                91            92            93            94            95 
      1  -0.582330D-01  0.407369D+00 -0.118603D+01  0.119805D+01 -0.759745D+00
      2   0.407369D+00 -0.296657D+00  0.779463D-01 -0.759745D+00  0.887909D+00
      3  -0.118603D+01  0.779463D-01 -0.799225D+00  0.192399D+00 -0.187550D+01
                96            97            98            99           100 
      1   0.192399D+00 -0.168070D+01  0.948573D-01 -0.105094D+01 -0.195164D+01
      2  -0.187550D+01  0.948573D-01 -0.128800D+01  0.158463D+01 -0.210313D+01
      3   0.379915D+01 -0.105094D+01  0.158463D+01 -0.842784D+01 -0.662627D+00
               101           102           103           104           105 
      1  -0.210313D+01 -0.662627D+00 -0.226002D+01 -0.237533D+01 -0.853339D+00
      2  -0.253271D+01 -0.103738D+01 -0.237533D+01 -0.713514D+01 -0.249165D+01
      3  -0.103738D+01 -0.117342D+01 -0.853339D+00 -0.249165D+01 -0.165707D+01
               106           107           108           109           110 
      1  -0.196254D+00 -0.455001D+00 -0.934134D+00  0.502359D+01  0.370256D+01
      2  -0.455001D+00 -0.104841D+01 -0.104986D+01  0.370256D+01  0.496898D+01
      3  -0.934134D+00 -0.104986D+01 -0.171084D+01 -0.505274D-01 -0.199640D+00
               111           112           113           114           115 
      1  -0.505274D-01  0.273933D+01  0.238106D+01 -0.223107D-01  0.552972D+00
      2  -0.199640D+00  0.238106D+01  0.414240D+01 -0.636763D-01  0.442017D+00
      3   0.979787D+00 -0.223107D-01 -0.636763D-01  0.623256D+00  0.604979D+00
               116           117           118           119           120 
      1   0.442017D+00  0.604979D+00  0.582064D+00  0.247146D+00 -0.498316D+00
      2   0.683225D+00  0.794047D+00  0.247146D+00  0.547754D+00 -0.611465D+00
      3   0.794047D+00 -0.964112D-01 -0.498316D+00 -0.611465D+00  0.547247D+00
               121           122           123           124           125 
      1   0.958733D+00 -0.550894D+00 -0.333125D-01 -0.134477D+01  0.131829D+00
      2  -0.550894D+00  0.420361D+01 -0.251480D+01  0.131829D+00 -0.290750D+01
      3  -0.333125D-01 -0.251480D+01  0.281111D+01 -0.590087D+00  0.291633D+01
               126           127           128           129           130 
      1  -0.590087D+00 -0.304173D+01  0.121345D+01  0.138705D+01  0.145487D+01
      2   0.291633D+01  0.121345D+01 -0.125504D+01 -0.103885D+01 -0.180345D+01
      3  -0.384637D+01  0.138705D+01 -0.103885D+01 -0.138030D+01 -0.128459D+01
               131           132           133           134           135 
      1  -0.180345D+01 -0.128459D+01  0.315277D+01 -0.196740D+01 -0.220796D+01
      2   0.285755D+01  0.134852D+01 -0.196740D+01  0.230638D+01  0.214332D+01
      3   0.134852D+01  0.189352D+01 -0.220796D+01  0.214332D+01  0.373491D+01
               136           137           138           139           140 
      1  -0.712025D+01 -0.179103D+01 -0.186566D+01 -0.433621D+01 -0.185449D+01
      2  -0.179103D+01 -0.152593D+01 -0.822146D+00 -0.185449D+01 -0.185863D+01
      3  -0.186566D+01 -0.822146D+00 -0.157113D+01 -0.145331D+01 -0.828728D+00
               141           142           143           144           145 
      1  -0.145331D+01 -0.237066D+01 -0.849942D+00 -0.193891D+01  0.346532D+01
      2  -0.828728D+00 -0.849942D+00 -0.780535D+00 -0.208528D+00 -0.221940D+01
      3  -0.883506D+00 -0.193891D+01 -0.208528D+00 -0.144300D+01  0.104324D+01
               146           147           148           149           150 
      1  -0.221940D+01  0.104324D+01 -0.215247D+01  0.160203D+01 -0.967628D+00
      2   0.287464D+01 -0.173866D+01  0.160203D+01 -0.373591D+01  0.151256D+01
      3  -0.173866D+01  0.192469D+01 -0.967628D+00  0.151256D+01 -0.102456D+01
               151           152           153           154           155 
      1   0.873852D+00 -0.885273D+00  0.808510D+00 -0.487425D+01 -0.332839D+01
      2  -0.885273D+00  0.101312D+01 -0.893385D+00 -0.332839D+01 -0.302410D+01
      3   0.808510D+00 -0.893385D+00  0.172686D+01  0.966927D-01 -0.164649D+00
               156           157           158           159           160 
      1   0.966927D-01 -0.311277D+01 -0.272821D+01 -0.274358D+00 -0.132425D+01
      2  -0.164649D+00 -0.272821D+01 -0.417712D+01  0.608434D-01 -0.113356D+01
      3  -0.118949D+01 -0.274358D+00  0.608434D-01 -0.554888D+00 -0.779535D+00
               161           162           163           164           165 
      1  -0.113356D+01 -0.779535D+00 -0.153570D+01 -0.223187D-01  0.167320D+01
      2  -0.142757D+01 -0.316799D+00 -0.223187D-01 -0.515474D+00 -0.548817D+00
      3  -0.316799D+00 -0.392745D+00  0.167320D+01 -0.548817D+00 -0.181412D+01
               166           167           168           169           170 
      1   0.832433D+00 -0.522374D+00 -0.125294D+01  0.189072D+01 -0.571713D+00
      2  -0.522374D+00  0.119955D+01  0.112361D+01 -0.571713D+00  0.129331D+01
      3  -0.125294D+01  0.112361D+01  0.304623D+01 -0.236372D+01  0.111449D+01
               171 
      1  -0.236372D+01
      2   0.111449D+01
      3   0.681009D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.495677D+00 -0.429096D+00  0.757107D+00 -0.485678D+01  0.331245D+01
      2   0.728944D+01 -0.155528D+01  0.691437D+01 -0.497291D+01  0.118775D+00
      3  -0.688385D+01 -0.438940D+01  0.106855D+01  0.805791D+01  0.354146D+01
                 6             7             8             9            10 
      1  -0.391796D+01  0.268260D+01  0.165707D+00 -0.406542D+01 -0.271006D+01
      2  -0.596844D+00 -0.557112D+01 -0.378680D+01 -0.271656D+01 -0.491173D-01
      3   0.269583D+01  0.400799D+01 -0.119860D+01  0.161845D+01  0.546623D+01
                11            12            13            14            15 
      1  -0.322308D+01 -0.842434D+00  0.196824D+01 -0.109337D+02 -0.274887D+01
      2   0.304795D+01 -0.916379D+01  0.902704D+01 -0.151215D+01 -0.962805D+00
      3   0.108973D+02 -0.263134D+01  0.719933D+01 -0.577587D+01 -0.508669D+00
                16            17            18            19            20 
      1  -0.243619D+01  0.750966D+01  0.801974D+01  0.146875D+01  0.505351D+01
      2  -0.696681D+01  0.223762D+01 -0.347543D+01  0.272269D+01  0.207434D+01
      3  -0.833524D+01  0.546331D+01  0.211655D+00 -0.672510D+01 -0.189603D+02
                21            22            23            24            25 
      1   0.132966D+00 -0.417165D+00  0.341148D+01 -0.184687D+01  0.235410D+01
      2   0.169141D+02 -0.106748D+01  0.277896D+01  0.283307D+00  0.384274D+01
      3  -0.211025D+01 -0.361336D+01 -0.127213D+01 -0.123639D+01  0.145148D+01
                26            27            28            29            30 
      1   0.184843D+01 -0.104129D+01  0.250030D+01 -0.195585D+01  0.196894D+01
      2  -0.289379D-01  0.725907D+01  0.209100D+01 -0.440503D+01  0.720018D-01
      3  -0.468275D+01 -0.259231D+01 -0.120149D+01 -0.160667D+01  0.167170D+01
                31            32            33            34            35 
      1  -0.297154D+01  0.193452D+00  0.232887D+01  0.855528D+00  0.436936D+01
      2  -0.461036D+01  0.203592D+01 -0.203093D+01 -0.564460D+01  0.266566D+00
      3   0.410042D+01  0.746720D+01 -0.344462D+00  0.359821D+01 -0.141602D+01
                36            37            38            39            40 
      1   0.778722D+00 -0.321055D+00  0.290199D-01 -0.893999D+00  0.957418D+00
      2  -0.271019D+01 -0.110367D+01  0.586288D+01  0.731770D+01  0.540289D+01
      3   0.633523D-01 -0.560520D+01 -0.479925D+01 -0.465933D+01  0.427507D+01
                41            42            43            44            45 
      1   0.876926D+00 -0.281675D+01  0.191700D+00  0.527795D+01 -0.111601D+01
      2   0.885982D+00 -0.435437D+01 -0.270807D+01 -0.398150D+01 -0.226930D+01
      3  -0.117024D+01 -0.367429D+00 -0.338223D+01 -0.253704D+00  0.585894D+01
                46            47            48            49            50 
      1  -0.161233D+01 -0.349070D+01  0.524011D+00 -0.384400D+01 -0.561314D+01
      2  -0.609596D+01  0.861704D+00 -0.369521D+01  0.321177D+00  0.245307D+01
      3   0.831032D+01  0.212949D+01  0.278520D+01  0.510603D+01 -0.343656D-01
                51            52            53            54            55 
      1  -0.119174D+02 -0.111620D+01 -0.333264D+01  0.100242D+02  0.285986D+01
      2   0.560385D+01 -0.602797D+01  0.279793D+01  0.148833D+01 -0.244339D+01
      3   0.174196D+01 -0.351311D-01 -0.758724D+00 -0.565868D+01 -0.133326D+02
                56            57            58            59            60 
      1   0.104852D+01  0.119825D+01  0.224153D+01  0.529956D+01 -0.701940D+01
      2  -0.275612D+01  0.153234D+01 -0.844179D+00 -0.260473D+01  0.320161D+00
      3  -0.723021D+01 -0.992616D+00  0.149903D+01 -0.617656D+01  0.420665D+00
                61            62            63            64            65 
      1   0.964732D+00  0.107833D+01  0.445141D+01 -0.664964D+00  0.201749D+00
      2  -0.292957D+01 -0.328991D+00 -0.120608D+01  0.863083D+00  0.101405D+01
      3  -0.456206D+01  0.207112D+01 -0.136284D+01 -0.206396D+00 -0.116126D+01
                66            67            68            69            70 
      1   0.150165D+00  0.887892D-01  0.367004D+00 -0.440945D+00  0.100545D+01
      2   0.698703D+00 -0.689210D-01  0.274619D+00  0.195929D+00 -0.430991D+01
      3   0.281594D-01  0.950528D+00 -0.333750D+00 -0.343854D+00  0.174615D+01
                71            72            73            74            75 
      1   0.337681D+01 -0.520476D+01 -0.899716D+00 -0.308262D+01 -0.273996D+01
      2  -0.657982D+00  0.312499D+01  0.162551D+01 -0.819106D+01 -0.209747D+01
      3  -0.395230D+00 -0.437864D+00  0.116949D+02  0.147395D+01  0.922638D+01
                76            77            78            79            80 
      1  -0.331845D+01 -0.267270D+00  0.159517D+01 -0.437144D+01  0.521397D+01
      2  -0.849608D+01 -0.317620D+01  0.109061D+02 -0.970699D+01  0.122781D+02
      3   0.988917D+01 -0.392501D+01  0.667800D+01  0.932297D+01  0.591233D+01
                81            82            83            84            85 
      1   0.210966D+01  0.539403D+01  0.455571D+01  0.605572D+01  0.558272D+01
      2   0.815219D+00  0.361526D+00 -0.133662D+02  0.317727D+01 -0.120226D+02
      3  -0.854143D+01  0.593295D+01 -0.900944D+01  0.740915D+01 -0.288088D+01
                86            87            88            89            90 
      1   0.414950D+01 -0.763262D+01  0.646062D+01 -0.105085D+01 -0.100892D+02
      2  -0.112000D+01  0.107074D+01 -0.318050D+01 -0.960171D-01  0.352561D+01
      3   0.253173D+01 -0.408524D+01  0.576839D+01 -0.324542D+01 -0.627383D+01
                91            92            93            94            95 
      1  -0.192841D+01  0.744684D+00 -0.617100D+00  0.249034D+01 -0.465536D+01
      2  -0.214635D-01  0.107836D+01 -0.540866D+00  0.327705D+01 -0.717901D+00
      3   0.213201D+00 -0.168670D+01  0.556572D+00 -0.823786D+00  0.187934D+01
                96            97            98            99           100 
      1   0.579499D+01 -0.166008D+01  0.645592D+01 -0.104914D+02  0.246403D+01
      2  -0.205224D+01 -0.484681D+01 -0.800508D+00  0.219838D+01 -0.277690D+01
      3  -0.166649D+01  0.126041D+01 -0.100977D+01  0.326390D+01  0.196096D+01
               101           102           103           104           105 
      1   0.281758D+01 -0.582537D+00  0.287659D+01  0.806142D+01 -0.994502D+00
      2  -0.212623D+01  0.141475D+01 -0.413177D+01 -0.254768D+01  0.137859D+00
      3  -0.395405D+00 -0.189348D+00  0.437868D+01 -0.184990D+01 -0.352386D+00
               106           107           108           109           110 
      1  -0.488731D+00  0.111667D+01 -0.471391D+00 -0.150705D+01 -0.584455D+00
      2  -0.771239D+00 -0.536781D+00 -0.768520D+00  0.182332D+01  0.198199D+01
      3   0.652260D+00  0.242229D+00  0.127957D+01  0.123725D+02  0.380000D+01
               111           112           113           114           115 
      1  -0.249118D+01 -0.102641D+01 -0.306209D+00 -0.177942D+01 -0.124631D+01
      2   0.190763D+01  0.102235D+01  0.135885D+01  0.103880D+01 -0.881744D-01
      3   0.241328D+00  0.530622D+01  0.418497D+01 -0.592114D-01  0.145087D+01
               116           117           118           119           120 
      1  -0.539155D+00  0.200202D+00  0.100122D-01 -0.357433D+00 -0.263984D+00
      2   0.876123D+00  0.496424D+00  0.244105D+01  0.155905D+01 -0.100953D+01
      3   0.301282D-01  0.738149D+00  0.195393D+01  0.136577D+01 -0.177248D+01
               121           122           123           124           125 
      1   0.896267D-02 -0.771812D+00 -0.322690D+01  0.287055D+00  0.630340D+00
      2   0.199630D+01  0.601599D+01 -0.728354D+01 -0.181005D+01 -0.689791D+01
      3   0.225800D+01  0.101594D+02 -0.649814D+01 -0.248436D+01 -0.732486D+01
               126           127           128           129           130 
      1   0.299507D+01 -0.175295D+01  0.106910D+01  0.228629D+01  0.177519D+01
      2   0.885363D+01 -0.404156D+01  0.335881D+01  0.547395D+01  0.310386D+01
      3   0.665299D+01  0.444589D+00 -0.356904D+01 -0.170987D+01 -0.177305D+01
               131           132           133           134           135 
      1  -0.146995D+01 -0.380526D+01  0.221045D+01 -0.617980D+00 -0.548050D+01
      2  -0.413300D+01 -0.620179D+01  0.420086D+01 -0.588948D+01 -0.111831D+02
      3   0.615181D+01  0.239650D+01 -0.166742D+01  0.536099D+01  0.407199D+01
               136           137           138           139           140 
      1   0.209354D+01  0.202703D+01  0.960688D+00  0.134208D+01  0.212687D+01
      2   0.191136D+01  0.141411D+01  0.547292D+01  0.181024D+01  0.145002D+01
      3  -0.926276D+01 -0.774956D+01 -0.376955D+01 -0.570044D+01 -0.759649D+01
               141           142           143           144           145 
      1  -0.464678D+00  0.150156D+01  0.158161D+01  0.561270D+00 -0.201632D+01
      2   0.291898D+01  0.249543D+01  0.290548D+00  0.327733D+01 -0.853449D+01
      3  -0.292285D+01 -0.385746D+01 -0.348199D+01 -0.193344D+01 -0.981208D+01
               146           147           148           149           150 
      1   0.247946D+01  0.118653D+01  0.123151D+01 -0.350628D+01 -0.919770D+00
      2   0.531817D+01 -0.198444D+01  0.533308D+01 -0.438124D+01  0.211578D+01
      3   0.512824D+01 -0.307105D+01  0.725231D+01 -0.618104D+01  0.319698D+01
               151           152           153           154           155 
      1  -0.736147D-01  0.144053D+01  0.123334D+01 -0.474663D+01 -0.445809D+01
      2  -0.348700D+01  0.259586D+01 -0.281752D+01  0.609267D+01  0.463447D+01
      3  -0.285945D+01  0.226009D+01 -0.232432D+01  0.234685D+01 -0.239118D+01
               156           157           158           159           160 
      1  -0.355993D+01 -0.431865D+01 -0.558365D+01 -0.257003D+01 -0.223115D+01
      2   0.411964D+01  0.502694D+01  0.387872D+01  0.233879D+01  0.177299D+01
      3  -0.415041D-01  0.207459D+01 -0.346739D+01  0.467048D+00  0.604280D+00
               161           162           163           164           165 
      1  -0.879413D+00 -0.170018D+01  0.186463D+01 -0.244503D+01 -0.322954D+01
      2   0.158366D+01  0.217733D+01  0.167894D-02  0.791222D+00  0.201481D+01
      3  -0.117288D+01  0.541636D+00  0.126649D+01 -0.186527D+01 -0.263744D+01
               166           167           168           169           170 
      1  -0.196718D+01  0.471155D+01  0.384347D+01 -0.382353D+01  0.637373D+01
      2  -0.106660D+00 -0.105800D+01 -0.344773D+01 -0.139597D+01 -0.990027D+00
      3  -0.423009D+00  0.293537D+01  0.294421D+01 -0.267967D+01  0.359973D+01
               171 
      1   0.988429D+01
      2  -0.822573D+01
      3   0.482408D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.849129D+01 -0.205025D+01 -0.375413D+01  0.317358D+01 -0.101840D+02
      2  -0.421891D+01  0.154529D+00 -0.315961D+00 -0.297645D+01  0.159507D+02
      3  -0.427239D+01  0.189572D+01  0.407009D+01 -0.197125D+00 -0.576674D+01
      4  -0.635253D+01  0.148222D+02  0.428294D+01  0.699477D+01 -0.742766D+01
      5  -0.645296D+01  0.494657D+01  0.135493D+02  0.337575D+01 -0.492603D+01
      6   0.356300D+01  0.326689D+00 -0.140687D+01 -0.157578D+01  0.845839D+01
                 6             7             8             9            10 
      1  -0.560756D+01  0.230922D+01 -0.493879D+01 -0.100486D+02 -0.525364D+02
      2   0.225754D+01  0.638075D+00  0.201648D+01 -0.293707D+01  0.307963D+02
      3   0.335002D+01 -0.294730D+01  0.292231D+01  0.129856D+02  0.217401D+02
      4  -0.269655D+01  0.334234D+01  0.293803D+01 -0.391806D+01 -0.422377D+01
      5   0.701302D+00  0.706518D+01 -0.425185D+01 -0.383803D+01 -0.193041D+02
      6   0.803367D+01 -0.123792D+01  0.962436D+01  0.903494D+01  0.317241D+01
                11            12            13            14            15 
      1   0.201180D+01 -0.950028D+01 -0.686240D+01  0.144151D+01  0.892066D+01
      2  -0.789407D+01  0.800315D+01  0.218253D+01 -0.476050D+00 -0.194791D+01
      3   0.588228D+01  0.149713D+01  0.467987D+01 -0.965465D+00 -0.697275D+01
      4  -0.154536D+02  0.135242D+01  0.530237D+01 -0.371713D+01  0.104042D+01
      5   0.138893D+01 -0.182848D+02 -0.165533D+01  0.353629D+00 -0.193602D+01
      6  -0.546161D+01  0.114214D+01 -0.477942D+00 -0.558034D+01  0.670449D+00
                16            17            18            19            20 
      1  -0.163152D+02  0.885632D+01 -0.154729D+00  0.104212D+03  0.215030D+00
      2   0.824975D+01 -0.835082D+01  0.253104D+00 -0.571849D+02  0.458881D+01
      3   0.806545D+01 -0.505496D+00 -0.983751D-01 -0.470272D+02 -0.480384D+01
      4  -0.125373D+01 -0.787335D+01  0.163078D+01  0.481515D-01  0.249122D+02
      5  -0.852272D+00  0.344029D+01 -0.669929D+01  0.247835D+02 -0.852380D+00
      6   0.187892D+01 -0.213521D+01 -0.535131D+01 -0.531913D+01  0.294928D+01
                21            22            23            24            25 
      1   0.161216D+02  0.383354D+01  0.966252D+01 -0.203934D+01  0.131373D+02
      2  -0.121665D+02 -0.315448D+01 -0.317447D+00  0.776814D+00 -0.107254D+02
      3  -0.395512D+01 -0.679056D+00 -0.934507D+01  0.126253D+01 -0.241189D+01
      4  -0.838200D+00  0.217262D+02  0.156808D+01  0.573415D+01 -0.145320D+01
      5   0.284942D+02 -0.132314D+01  0.448137D+01  0.759607D+00  0.279264D+02
      6  -0.230520D+01  0.346922D+01 -0.470091D+00  0.488348D+01 -0.264206D+01
                26            27            28            29            30 
      1  -0.181471D+01  0.128677D+02 -0.697023D+01  0.530418D+01  0.247372D+01
      2   0.149948D+01 -0.136451D+02  0.440760D+01 -0.602581D+01 -0.114836D+01
      3   0.315222D+00  0.777384D+00  0.256263D+01  0.721630D+00 -0.132536D+01
      4   0.635875D+01 -0.136566D+01  0.580008D+00 -0.681698D+00 -0.666284D+00
      5  -0.452573D+00  0.176380D+02  0.244115D+01 -0.309356D+00 -0.937376D+00
      6   0.503072D+01 -0.179386D+01  0.121078D+01 -0.860426D+00 -0.275535D+01
                31            32            33            34            35 
      1  -0.718506D+01  0.968890D+01 -0.727537D+01 -0.360404D-01 -0.107339D+02
      2   0.514398D+01 -0.163998D+02  0.517490D+01 -0.874754D+00  0.181321D+02
      3   0.204109D+01  0.671089D+01  0.210047D+01  0.910795D+00 -0.739818D+01
      4  -0.373285D+01 -0.158908D+01  0.180125D+01 -0.156460D+01 -0.157313D+01
      5  -0.142887D+01  0.577662D+00 -0.438380D+01 -0.252896D+01 -0.819151D+00
      6   0.140336D+01  0.204631D+01 -0.353849D+01 -0.943646D-01 -0.726366D+00
                36            37            38            39            40 
      1   0.948534D+01  0.177979D+01  0.940121D+01 -0.554452D+01  0.158382D+02
      2   0.125219D+02 -0.892487D+00 -0.187615D+01  0.413775D+01 -0.464034D+01
      3  -0.220073D+02 -0.887302D+00 -0.752506D+01  0.140677D+01 -0.111979D+02
      4   0.107850D+01  0.144480D+02  0.639924D-01  0.607221D+01 -0.106317D+00
      5  -0.602146D+01 -0.576600D+01  0.669921D+01  0.292733D+01  0.126872D+02
      6  -0.107698D+02 -0.245623D+01  0.565215D+01  0.118599D+01  0.406946D+01
                41            42            43            44            45 
      1   0.481590D+00  0.771427D+01 -0.366218D+01  0.753655D+01  0.396036D+01
      2   0.374253D+01 -0.482222D+01  0.139155D+01 -0.260436D+01 -0.712277D+01
      3  -0.422412D+01 -0.289206D+01  0.227063D+01 -0.493219D+01  0.316241D+01
      4   0.974444D-01  0.352609D+01  0.102273D+02  0.205110D+01 -0.975523D+01
      5   0.449580D+01 -0.103227D+02  0.471315D+01 -0.104727D+02  0.308881D+01
      6   0.565982D+01 -0.582484D+01 -0.301269D+01 -0.622182D+01  0.422141D+01
                46            47            48            49            50 
      1  -0.407351D+01  0.404951D+01  0.799047D+01  0.242926D+01  0.686850D+01
      2  -0.947639D+00 -0.759512D+01 -0.947571D+00 -0.830439D+01 -0.118145D+02
      3   0.502115D+01  0.354560D+01 -0.704289D+01  0.587514D+01  0.494597D+01
      4  -0.245956D+01 -0.129099D+02 -0.407064D+01 -0.708233D+01 -0.892307D+01
      5   0.389061D+01 -0.604609D+01 -0.807247D+01 -0.544013D+01 -0.761621D+01
      6   0.726549D+00 -0.989518D+01 -0.585199D+01 -0.909398D+01 -0.121906D+02
                51            52            53            54            55 
      1  -0.836795D+01  0.711840D+01 -0.673984D+01  0.682632D+01  0.488480D+01
      2  -0.113927D+02 -0.209933D+01 -0.736673D+01  0.109108D+02 -0.927438D+01
      3   0.197607D+02 -0.501907D+01  0.141066D+02 -0.177371D+02  0.438958D+01
      4  -0.566173D+01 -0.181012D+01 -0.204357D+01  0.180695D+01 -0.187150D+02
      5   0.581207D+01 -0.284645D+01  0.190919D+01 -0.658711D+01 -0.151329D+01
      6  -0.234080D+01 -0.190427D+01 -0.759212D-01  0.691046D+01 -0.368207D+01
                56            57            58            59            60 
      1   0.205668D+01 -0.205190D+00  0.377604D+01 -0.212937D+02  0.660158D+01
      2  -0.104123D+02  0.426537D+00 -0.717730D+01  0.311283D+02 -0.234215D+01
      3   0.835562D+01 -0.221347D+00  0.340126D+01 -0.983459D+01 -0.425943D+01
      4  -0.735827D+01 -0.278661D+01 -0.100697D+01 -0.616016D+01 -0.217413D+01
      5  -0.752621D+00  0.325462D+01 -0.159002D+00 -0.144736D+01  0.179769D+01
      6  -0.209141D+01 -0.106860D+01 -0.194447D+01 -0.515859D+01  0.867195D+01
                61            62            63            64            65 
      1  -0.112468D+01  0.974077D+01 -0.836864D+01  0.274158D+00 -0.490384D+00
      2  -0.187043D+00 -0.147693D+02  0.257828D+01 -0.334113D+01 -0.203740D+00
      3   0.131172D+01  0.502857D+01  0.579036D+01  0.306698D+01  0.694124D+00
      4  -0.517481D+01 -0.369373D+01  0.227303D+00 -0.333896D+00  0.258906D+01
      5   0.313280D+01  0.200284D+01 -0.226544D+01  0.116629D+01  0.140017D+01
      6  -0.967503D+00  0.109516D+02 -0.624122D+01  0.214673D+01  0.288722D+00
                66            67            68            69            70 
      1   0.422680D+00  0.231286D+00 -0.592015D+01 -0.377805D+01  0.348337D+00
      2  -0.642311D+00 -0.236262D+00  0.312193D+01  0.987834D+00 -0.236638D+00
      3   0.219630D+00  0.497635D-02  0.279822D+01  0.279021D+01 -0.111699D+00
      4   0.267600D+01  0.172739D+01  0.530917D+00  0.210923D+00  0.169881D+01
      5   0.702801D+01  0.679494D+00  0.452526D+00  0.752730D+00  0.587770D+01
      6   0.806523D+00  0.279341D+00  0.480144D+01  0.882496D+01  0.878613D+00
                71            72            73            74            75 
      1  -0.482236D+01 -0.193112D+02 -0.123295D+02 -0.177264D+02 -0.352925D+01
      2   0.753640D+00 -0.160474D+02  0.109277D+02  0.111054D+02  0.598826D+01
      3   0.406872D+01  0.353585D+02  0.140185D+01  0.662103D+01 -0.245901D+01
      4   0.954779D+00  0.220206D+00 -0.191031D+02 -0.851472D+00 -0.168867D+02
      5   0.112984D+01  0.552173D+01 -0.177922D+01 -0.186168D+02 -0.875220D+01
      6   0.772307D+01  0.172504D+02 -0.573289D+01  0.352848D+01  0.620548D+00
                76            77            78            79            80 
      1  -0.236426D+02 -0.569926D+00 -0.212273D+02 -0.415943D+01 -0.194529D+02
      2   0.149299D+02  0.719210D+00  0.108444D+02  0.681939D+01  0.875475D+01
      3   0.871270D+01 -0.149284D+00  0.103829D+02 -0.265996D+01  0.106981D+02
      4  -0.410546D+01  0.441223D+01 -0.121869D+01 -0.201429D+02  0.108364D+01
      5  -0.231792D+02 -0.399305D+01  0.142176D+02 -0.131496D+02  0.162149D+02
      6   0.357953D+01  0.171982D+01 -0.932556D+01  0.389646D+01 -0.980948D+01
                81            82            83            84            85 
      1  -0.301269D+01  0.367050D+01 -0.207776D+02  0.494897D+01 -0.203072D+02
      2  -0.165040D+01 -0.106825D+02  0.245931D+01 -0.120266D+02 -0.398342D+00
      3   0.466308D+01  0.701201D+01  0.183183D+02  0.707767D+01  0.207055D+02
      4   0.168850D+02 -0.140432D+02 -0.140755D+02 -0.573106D+01 -0.148786D+02
      5   0.373522D+01  0.103926D+01  0.446953D+00 -0.450841D+01 -0.214300D+01
      6  -0.365422D+00  0.761125D+01 -0.764444D+01  0.671252D+01 -0.732157D+01
                86            87            88            89            90 
      1  -0.246258D+01 -0.313224D+01  0.164630D+01 -0.426658D+01 -0.236937D+01
      2  -0.400088D+01  0.105779D+02 -0.120684D+02  0.814419D+01  0.151652D+02
      3   0.646347D+01 -0.744570D+01  0.104221D+02 -0.387762D+01 -0.127959D+02
      4  -0.502767D+01 -0.765624D+01 -0.931061D+01 -0.107274D+02  0.979327D+01
      5  -0.354712D+01  0.192510D+02 -0.640962D+01  0.163635D+02  0.937011D+01
      6  -0.136951D+01  0.592155D+01  0.738629D+01  0.654481D+01 -0.856126D+01
                91            92            93            94            95 
      1  -0.474130D+00 -0.621833D+00  0.108479D+00 -0.476470D+00 -0.520005D+01
      2  -0.411938D+01  0.122691D+01 -0.171065D+01  0.269283D+01 -0.103844D+01
      3   0.459351D+01 -0.605080D+00  0.160217D+01 -0.221636D+01  0.623849D+01
      4  -0.183872D+00  0.232319D+01  0.655852D+00  0.170071D+01  0.139643D+00
      5   0.182774D+01 -0.131303D+01  0.874749D+01 -0.275839D+01  0.250764D+01
      6  -0.870181D+00  0.109434D+01  0.648667D+00  0.298376D+01 -0.299350D+01
                96            97            98            99           100 
      1   0.795446D+01 -0.258274D+01  0.300187D+01 -0.224542D+02  0.370077D+00
      2   0.889480D+01 -0.197185D+01  0.479811D+01 -0.207606D+02  0.480257D+01
      3  -0.168493D+02  0.455459D+01 -0.779998D+01  0.432147D+02 -0.517265D+01
      4   0.212160D+01  0.708098D+00  0.176477D+01 -0.122337D+01  0.915751D+01
      5  -0.463445D+01  0.722995D+01 -0.101408D+01  0.898741D+01  0.523257D+01
      6   0.616822D+01 -0.201757D+00  0.589250D+01  0.117745D+00  0.596828D+01
               101           102           103           104           105 
      1  -0.342588D+01 -0.217207D+01 -0.371178D+01 -0.185887D+02 -0.730373D+01
      2   0.723089D+01  0.126651D+01  0.738278D+01  0.290019D+02  0.757040D+01
      3  -0.380501D+01  0.905565D+00 -0.367100D+01 -0.104132D+02 -0.266672D+00
      4   0.125358D+02  0.463489D+01  0.116861D+02  0.160094D+02  0.541955D+01
      5   0.641674D+01  0.523609D+01  0.547220D+01  0.688935D+01  0.418607D+01
      6   0.782781D+01  0.569606D+01  0.690316D+01  0.221938D+02  0.131527D+02
               106           107           108           109           110 
      1  -0.263073D+01 -0.356527D+01 -0.620477D+01  0.168694D+01 -0.365817D+01
      2   0.371157D+00  0.219824D+01  0.173300D+01  0.104438D+02  0.163675D+02
      3   0.225958D+01  0.136703D+01  0.447177D+01 -0.121308D+02 -0.127093D+02
      4   0.156715D+01  0.235128D+01  0.308398D+01  0.235456D+02  0.222543D+02
      5   0.254911D+01  0.280947D+01  0.343500D+01 -0.235443D+00 -0.121731D+00
      6   0.366165D+01  0.882194D+01  0.612937D+01  0.176178D+01  0.119209D+01
               111           112           113           114           115 
      1   0.191355D-01 -0.179285D+01 -0.621590D+01 -0.797781D-01 -0.281417D+00
      2  -0.416501D+00  0.928184D+01  0.170281D+02  0.189695D+00  0.120143D+01
      3   0.397365D+00 -0.748899D+01 -0.108122D+02 -0.109917D+00 -0.920017D+00
      4   0.248332D+00  0.136021D+02  0.141561D+02  0.138730D+00  0.267338D+01
      5   0.217434D+01 -0.213095D+00  0.208466D+00  0.995895D+00  0.301642D+01
      6   0.337334D+01  0.838917D+00  0.126599D+01  0.283621D+01  0.361175D+01
               116           117           118           119           120 
      1  -0.971777D+00 -0.129111D+01 -0.166933D+01 -0.168833D+01  0.389284D+01
      2   0.200863D+01  0.166398D+01  0.982872D+00  0.881792D+00 -0.132745D+01
      3  -0.103686D+01 -0.372874D+00  0.686458D+00  0.806537D+00 -0.256539D+01
      4   0.255696D+01  0.346168D+01  0.131533D+01  0.146790D+01  0.105229D+00
      5   0.224924D+01  0.490396D+00  0.126386D+01  0.849087D+00  0.944937D+00
      6   0.499060D+01  0.339887D+00 -0.144387D+01 -0.945155D+00  0.794469D+00
               121           122           123           124           125 
      1  -0.364170D+01 -0.874670D+01  0.846047D+01  0.625942D+01  0.867843D+01
      2   0.120420D+01  0.119785D+02 -0.580346D+01 -0.320917D+01 -0.597719D+01
      3   0.243750D+01 -0.323178D+01 -0.265701D+01 -0.305025D+01 -0.270124D+01
      4   0.681384D+01 -0.163249D+02  0.949239D+01 -0.284759D+01  0.109567D+02
      5  -0.804657D+00  0.996360D+01 -0.121803D+02  0.584684D+01 -0.117069D+02
      6   0.703569D+00 -0.114401D+02  0.115595D+02 -0.142227D+01  0.119242D+02
               126           127           128           129           130 
      1  -0.842486D+01  0.164527D+02 -0.490627D+01 -0.650013D+01 -0.527914D+01
      2   0.670397D+00 -0.712662D+01 -0.388107D+00  0.159842D+01 -0.111904D+01
      3   0.775446D+01 -0.932603D+01  0.529438D+01  0.490171D+01  0.639817D+01
      4  -0.110231D+02 -0.101748D+02  0.102492D+02  0.820317D+01  0.132235D+02
      5   0.147910D+02 -0.859439D+01  0.705743D+01  0.106113D+02  0.800052D+01
      6  -0.123275D+02  0.396768D+01 -0.255568D+01 -0.298496D+01 -0.380115D+01
               131           132           133           134           135 
      1   0.208414D+01  0.342285D+01 -0.130538D+02  0.457376D+01  0.378633D+01
      2   0.540639D+01  0.122767D+01  0.524340D+01  0.157330D+01 -0.293484D+01
      3  -0.749053D+01 -0.465051D+01  0.781035D+01 -0.614706D+01 -0.851492D+00
      4  -0.162358D+02 -0.874697D+01  0.141039D+02 -0.137533D+02 -0.124070D+02
      5  -0.776627D+01 -0.103129D+02  0.151854D+02 -0.117694D+02 -0.211672D+02
      6   0.591232D+01  0.774440D+01 -0.571339D+01  0.841362D+01  0.992435D+01
               136           137           138           139           140 
      1   0.460604D+02  0.118685D+02  0.113777D+02  0.241242D+02  0.875960D+01
      2  -0.270722D+02 -0.796194D+01 -0.898890D+01 -0.144424D+02 -0.446866D+01
      3  -0.189882D+02 -0.390651D+01 -0.238881D+01 -0.968180D+01 -0.429094D+01
      4   0.848656D+01  0.101626D+02  0.399870D+01  0.121819D+02  0.115561D+02
      5   0.163352D+02  0.605608D+01  0.128352D+02  0.108894D+02  0.546899D+01
      6   0.144467D+01  0.104321D+01  0.163207D+00  0.199057D+01  0.242533D+01
               141           142           143           144           145 
      1   0.677484D+01  0.127296D+02  0.464786D+01  0.760294D+01 -0.912160D+01
      2  -0.566322D+01 -0.102171D+02 -0.377436D+01 -0.696014D+01  0.758207D+01
      3  -0.111162D+01 -0.251253D+01 -0.873505D+00 -0.642804D+00  0.153953D+01
      4   0.421302D+01  0.408877D+01  0.394574D+01  0.129141D+01 -0.641569D+01
      5   0.690244D+01  0.147670D+02  0.267251D+01  0.991741D+01  0.797516D+01
      6   0.317777D+01  0.432222D+00  0.351395D+01  0.976011D+00 -0.688635D+01
               146           147           148           149           150 
      1   0.134318D+02 -0.857537D+01  0.105327D+02 -0.145419D+02  0.799495D+01
      2  -0.111731D+02  0.327522D+01 -0.798801D+01  0.167035D+02 -0.549189D+01
      3  -0.225865D+01  0.530015D+01 -0.254472D+01 -0.216158D+01 -0.250306D+01
      4   0.408351D+01 -0.591355D+00  0.646802D+01  0.352133D-01  0.622268D+00
      5  -0.324123D+01  0.211577D+01 -0.405047D+01  0.213944D+01 -0.182960D+01
      6   0.103395D+02 -0.892458D+01  0.643353D+01 -0.130157D+02  0.860087D+01
               151           152           153           154           155 
      1  -0.495482D+01  0.698318D+01 -0.744703D+01  0.205560D+02  0.956745D+01
      2   0.263373D+01 -0.379583D+01 -0.107284D+00 -0.123451D+01  0.552941D+01
      3   0.232110D+01 -0.318735D+01  0.755431D+01 -0.193215D+02 -0.150969D+02
      4  -0.946953D+00  0.133278D+01 -0.174520D+01  0.251725D+02  0.216968D+02
      5   0.410340D+01 -0.217478D+01 -0.116405D+00 -0.743943D+01 -0.500723D+01
      6  -0.541664D+01  0.776275D+01 -0.692831D+01 -0.426788D+01 -0.384710D+01
               156           157           158           159           160 
      1   0.166546D+01  0.893232D+01  0.180510D+01  0.165320D+01  0.538789D+01
      2   0.251940D+01  0.546767D+01  0.138241D+02  0.420102D+00  0.128087D+01
      3  -0.418486D+01 -0.144000D+02 -0.156292D+02 -0.207330D+01 -0.666876D+01
      4   0.397239D+00  0.204467D+02  0.228159D+02  0.831043D+00  0.662770D+01
      5   0.620576D+01 -0.493525D+01 -0.373893D+01  0.189092D+01  0.370601D+01
      6   0.343147D+01 -0.311413D+01 -0.602263D+01  0.404805D+01  0.207600D+01
               161           162           163           164           165 
      1   0.174200D+01  0.226025D+01  0.442333D+01  0.285895D+00 -0.348876D+01
      2   0.286130D+01 -0.732252D+00 -0.669188D+01  0.256239D+01  0.959992D+01
      3  -0.460331D+01 -0.152800D+01  0.226854D+01 -0.284828D+01 -0.611116D+01
      4   0.683660D+01  0.347261D+01  0.138685D+01  0.420716D+01  0.138029D+00
      5   0.101433D+01  0.973002D+00 -0.105569D+02  0.219343D+01  0.135067D+02
      6   0.234051D+01  0.244864D+01 -0.914528D+00 -0.941267D+00  0.722642D+00
               166           167           168           169           170 
      1  -0.139544D+01 -0.426658D+00 -0.148205D+01 -0.301122D+01  0.749174D+00
      2   0.499818D+01 -0.337257D+01 -0.986628D+01  0.108846D+02 -0.689770D+01
      3  -0.360275D+01  0.379923D+01  0.113483D+02 -0.787340D+01  0.614852D+01
      4   0.330436D+01 -0.378037D+01 -0.268357D+01 -0.533000D+00 -0.346664D+01
      5   0.698607D+01 -0.450349D+01 -0.116675D+02  0.149330D+02 -0.500953D+01
      6  -0.101186D+01  0.495209D+01  0.381184D+01  0.926081D+00  0.547180D+01
               171 
      1  -0.908618D+01
      2  -0.239828D+02
      3   0.330689D+02
      4  -0.151404D+01
      5  -0.269396D+02
      6  -0.382037D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.138885D+01      0.353011D+01      0.117752D+02
   x         -0.138051D+01     -0.350890D+01     -0.117044D+02
   y          0.120940D+00      0.307399D+00      0.102537D+01
   z          0.920778D-01      0.234038D+00      0.780668D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.775835D+02      0.114967D+02      0.127918D+02
   aniso      0.170392D+02      0.252495D+01      0.280938D+01
   xx         0.873560D+02      0.129448D+02      0.144031D+02
   yx         0.237664D+01      0.352182D+00      0.391856D+00
   yy         0.740382D+02      0.109713D+02      0.122073D+02
   zx         0.408341D+01      0.605099D+00      0.673264D+00
   zy         0.101509D+01      0.150421D+00      0.167366D+00
   zz         0.713563D+02      0.105739D+02      0.117651D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.837930D+02      0.124168D+02      0.138156D+02
   aniso      0.180864D+02      0.268013D+01      0.298204D+01
   xx         0.942655D+02      0.139687D+02      0.155423D+02
   yx         0.213513D+01      0.316393D+00      0.352035D+00
   yy         0.800375D+02      0.118603D+02      0.131964D+02
   zx         0.431355D+01      0.639202D+00      0.711208D+00
   zy         0.119418D+01      0.176960D+00      0.196894D+00
   zz         0.770759D+02      0.114215D+02      0.127081D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -1.55437010         -1.74497195         -2.18063241
     6          0.37768643         -0.15391781         -2.68318866
     8          1.24977350          0.13306867         -4.75163775
     6          1.11616825          1.25650837         -0.26329880
     6         -0.00310995         -0.40101639          1.83007081
     6         -2.29324872         -1.53288588          0.43907627
     8         -0.07542417          3.66815660         -0.31080882
     1          3.16790422          1.44562121         -0.12806063
     6         -0.76986026          1.03577573          4.20354551
     6          1.89345626         -2.49931554          2.46239409
     1         -3.94135709         -0.29897836          0.54428798
     1         -2.79563854         -3.41649324          1.09591365
     1          0.43444072          4.51892883         -1.84140311
     1         -2.05346140          2.58054691          3.76304098
     1          0.88550229          1.82725366          5.14449394
     1         -1.70058522         -0.23901202          5.53418525
     1          2.44070756         -3.57130167          0.78601799
     1          1.07255014         -3.82032819          3.81599103
     1          3.60355101         -1.70715325          3.29857708

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.138885D+01      0.353011D+01      0.117752D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.138885D+01      0.353011D+01      0.117752D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.775835D+02      0.114967D+02      0.127918D+02
   aniso      0.170392D+02      0.252495D+01      0.280938D+01
   xx         0.722483D+02      0.107061D+02      0.119121D+02
   yx         0.179840D+01      0.266495D+00      0.296516D+00
   yy         0.742555D+02      0.110035D+02      0.122431D+02
   zx        -0.524639D+01     -0.777434D+00     -0.865012D+00
   zy        -0.295332D+01     -0.437636D+00     -0.486936D+00
   zz         0.862468D+02      0.127805D+02      0.142202D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.837930D+02      0.124168D+02      0.138156D+02
   aniso      0.180864D+02      0.268013D+01      0.298204D+01
   xx         0.780357D+02      0.115637D+02      0.128664D+02
   yx         0.200142D+01      0.296580D+00      0.329990D+00
   yy         0.801855D+02      0.118823D+02      0.132208D+02
   zx        -0.552308D+01     -0.818436D+00     -0.910632D+00
   zy        -0.275689D+01     -0.408529D+00     -0.454550D+00
   zz         0.931577D+02      0.138045D+02      0.153596D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-26\Freq\RB3LYP\Gen\C6H10O3\PIERPA\08-Jul-2021\0\\#P B
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 ,-0.00000397,-0.00000074,0.00000003,0.00000013,-0.00000271,-0.00001006
 ,-0.00000135,0.00000310,-0.00000094,-0.00000103,-0.00000082,0.00000066
 ,0.00000089,-0.00000504,-0.00000816,0.00001045,-0.00000076,-0.00000119
 ,0.00000149,0.00000003,-0.00000472,0.00000113\\\@


 NOTHING RESEMBLES A NEW PHENOMENON AS MUCH AS A MISTAKE.

                               -- ENRICO FERMI (?)
 Job cpu time:       0 days  3 hours 48 minutes 40.4 seconds.
 Elapsed time:       0 days  0 hours 14 minutes 19.6 seconds.
 File lengths (MBytes):  RWF=    255 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 18:42:30 2021.
